Education
Experience
Guest Researcher, NIH/NLM/.NCBI, NIH, Bethesda, MD, July 2019 - present.
Project Director, InChI Trust, InChI Trust 2009 - 2023
Consultant, 1990 - present.
Consultant and Contributing Editor on Specialized Databases, ChemIndustry.com, February 2000 - 2008.
Guest Researcher, BMD and SRD, NIST, Department of Commerce, Gaithersburg, MD, October 1997 - June 2019.
Principal Strategic Planner, MDL Information Systems, April 2000 - November 2002.
Informatics Project Leader, Plant Genome Research Program, US Department of Agriculture, Agricultural Research Service , Beltsville, MD, August 1990 - August 2000.
Director of Quality Control, Scitechinform, a UK-USSR private joint venture of Maxwell Communications and VINITI, Moscow, USSR; London, UK; & Washington DC, July 1989 - August 1990.
Research Scientist, Systems Research Laboratory, Natural Resources Institute, US Department of Agriculture (USDA), Agricultural Research Service (ARS), Beltsville, MD, January 1988 - August 1990.
Research Scientist and Research Leader, Model and Database Coordination Laboratory, Agricultural Systems Research Institute, US Department of Agriculture, Agricultural Research Service, Beltsville, MD, April 1985 - January 1988.
Faculty Member, Chemistry Department, FAES-NIH Graduate School, Bethesda, MD, 1972 -1990.
Chemist, Acid Rain and Quality Assurance Programs, Environmental Protection Agency (EPA) Office of Research and Development, Washington, DC, September 1984 - April 1985.
Chemist, Physical Scientist, and Computer Specialist, Office of Information Resource Management, EPA, Washington, DC, October 1973 - April 1985.
EPA Chemical Information System (CIS) Coordinator and CIS Database Project Manager, 1976 - 1984.
Guest Worker, NHLBI, National Institutes of Health (NIH) , Laboratory of Chemistry, Bethesda, MD, 1978 - 1984.
Special Assistant, Information Technology Branch, DTP, DCT, NCI, NIH, Bethesda, MD, February - April 1984.
Visiting Professor of Chemistry , The Hebrew University of Jerusalem , November 1981 - January 1982.
Staff Scientist, US House of Representatives, Subcommittee on Health and the Environment , Washington, DC, August 1979 - March 1980.
Senior Staff Fellow, Division of Computer Research and Technology (DCRT), NIH, Bethesda, MD, May 1970 - October 1973.
Consultant in chemistry primarily to chemical patent lawyers and included patent, literature searching and assisting in writing patent applications, July 1969 - May 1970.
Research Chemist,
Walter Reed Army Institute of Research, Washington,
DC, January 1967 - July 1969.
Research and work areas, and objectives currently include: Design and implementation of chemical, structural, and spectral databases and chemical information systems, and electronic publishing.
Ph.D. Thesis
Thesis research was conducted under the direction of Professor C. F. Hammer (Georgetown
University) on the mechanism of cyclic nitrogen mustard systems.
Journal Publications
1. F. Ramirez, A. V. Patwardhan, and S. R. Heller, The Reaction of Trialkyl Phosphites with Aliphatic Aldehydes. P-31 and H-1 Nuclear Magnetic Resonance Spectra of Tetraoxyalkyl Phosphoranes, J. Am. Chem. Soc., 86, 514-516(1964). also available on the ACS Pubs web site: The Reaction of Trialkyl Phosphites with Aliphatic Aldehydes. P-31 and H-1 Nuclear Magnetic Resonance Spectra of Tetraoxyalkyl Phosphoranes
2. F. Ramirez, A. V. Patwardhan, N. Ramanathan, N. B. Desai, C.V. Greco, and S. R. Heller, A New Synthesis of alpha, beta-Dihydroxy Ketones via Oxyphosphoranes. Condensation of Aliphatic alpha-Diketones with Aldehydes by means of Trialkyl Phosphites. P-31 and H-1 Nuclear Magnetic Resonance Spectra, J. Am. Chem. Soc., 87, 543-548(1965).
3. F. Ramirez, A. V. Patwardhan, N. B. Desai, and S. R. Heller, The Hydrolysis of Five- Membered Cyclic Oxyphosphoranes to Cyclic Phosphate Esters. P-31 Nuclear Magnetic Resonance and Stereoisomerism at Phosphorus in Cyclic Phosphates, J. Am. Chem. Soc., 87, 549-553(1965).
4. F. Ramirez, S. R. Heller and O. P. Madan, A Crystalline Tetraalkoxyalkylphosphorane from the Reaction of Trimethyl Phosphite with an alpha, beta-Unsaturated Ketone. 3- Benzylidene-2,4-pentanedione. P-31 and H-1 Nuclear Magnetic Resonance Spectra, J. Am. Chem. Soc., 87, 731-734(1965).
5. C. F. Hammer and S. R. Heller, The Isolation of a Bicyclic Aziridinium Ion Intermediate, Chem. Comm., 919-920(1966).
6. S. R. Heller, NMR Studies of Sulfur Compounds", Annual Reports on the Mechanisms of Sulfur Compounds, 2, 1-5(1968).
7. S. R. Heller, 1H NMR Studies on Deuterium - Hydrogen Exchange C-5 in Uridines, Biochem. Biophys. Res. Comm., 32, 998-1001(1968).
8. S. R. Heller, NMR Studies on Sulfur Compounds, Intra-Science Chemistry Reports, Vol. 2, No. 4, 320-440(1968).
9. S. R. Heller, K. P. Shapiro and R. J. Feldmann, An Experimental Computerized CBAC Search Project, J. Chem. Doc., 11, 248-251(1971).
10. C. F. Hammer, S. R. Heller, and J. C. Craig, Reactions of beta-substituted Amines.II. Nucleophilic Displacement Reactions on 3-chloro-1-ethylpiperidine, Tetrahedron, 28, 239-253(1972).
11. R. J. Feldmann, S. R. Heller, K. P. Shapiro, and R. S. Heller, An Application of Interactive Computing - A Chemical Information System, J. Chem. Doc., 12, 41-47(1972).
12. R. S. Shrager, J. S. Cohen, S. R. Heller, D. H. Sachs, and A. N. Schechter, Mathematical Models for Interacting Groups in Nuclear Magnetic Resonance Titration Curves, Biochemistry, 11, 541-547(1972). ACS archive url: http://pubs.acs.org/journals/bichaw/archive.cgi/bichaw/1972/11/i04/pdf/bi00754a010.pdf
13. R. J. Feldmann and S. R. Heller, An Application of Interactive Graphics - The Nested Retrieval of Chemical Structures, J. Chem. Doc., 12, 48-54(1972).
14. S. R. Heller and D. A. Koniver, Computer Generation of WLN. II., J. Chem. Doc., 12, 55-59(1972). Also available on the ACS Pubs web site: Computer Generation of WLN. II.
15. S. R. Heller and R. J. Feldmann, An Interactive NMR Chemical Shift Search Program, J. Chem. Ed., 48, 291(1972).
16. S. R. Heller, Conversational Mass Spectral Retrieval System and its Use as an Aid in Structure Determination, Anal. Chem., 44, 1951-1961(1972).
17. S. R. Heller and A. E. Jacobson, GINA - A Graphical Interactive Nuclear Magnetic Resonance Analysis Program, Anal. Chem., 44, 2219-2222(1972). Also available on the ACS Pubs web site: GINA - A Graphical Interactive Nuclear Magnetic Resonance Analysis Program
18. S. R. Heller, H. M. Fales, and G. W. A. Milne, An Interactive Mass Spectral Search System, J. Chem. Ed., 49, 725(1972).
19. R. J. Feldmann, S. R. Heller, and C. R. T. Bacon, An Interactive, Versatile, Three- Dimensional Display, Manipulation and Plotting System for Biomedical Research, J. Chem. Doc., 12, 234-237(1972). Also available on the ACS Pubs web site: An Interactive, Versatile, Three- Dimensional Display, Manipulation and Plotting System for Biomedical Research
20. A. N. Schecter, D. H. Sachs, S. R. Heller, R. I. Shrager, and J. S. Cohen, NMR Titration Curves of Histidine Ring Protons. III. Ribonuclease, J. Mol. Biol., 71, 39-48(1972).
21. S. R. Heller, H. M. Fales, and G. W. A. Milne, A Conversational Mass Spectral Search and Retrieval System. II. Combined Search Options., Org. Mass Spec., 7, 107-115(1973).
22. R. Katz, S. R. Heller, and A. E. Jacobson, A Molecular Orbital Study of Norephinehrine and 3,4 Dihydroxyphenylamine: A Re-evaluation of Structure-Activity Relationships in Norepinephrine, Mol. Pharm., 9, 486-494(1973).
23. S. R. Heller, R. J. Feldmann, H. M. Fales, and G. W. A. Milne, A Conversational Mass Spectral Search System. IV. The Evolution of a System for the Retrieval of Mass Spectral Information, J. Chem. Doc., 13, 130-133(1973).
24. S. R. Heller, D. A. Koniver, H. M. Fales, and G. W. A. Milne, A Conversational Mass Spectral Search System. III. Display and Plotting of Spectra and Dissimilarity Comparison, Anal. Chem., 46, 947-950(1974).
25. S. R. Heller, C. L. Chang, and K. Chu, Interpretation of Mass Spectral Data Using Cluster Analysis - Alkyl Thiolesters, Anal. Chem., 46, 951-952(1974). Also available on the ACS Pubs web site: Interpretation of Mass Spectral Data Using Cluster Analysis - Alkyl Thiolesters
26. S. R. Heller, H. M. Fales, G. W. A. Milne, R.S. Heller, A. McCormick, and D. C. Maxwell, The Mass Spectral Search System, Biomed. Mass Spectrom., 1, 206-207(1974).
27. R. Katz, S. R. Heller, A. E. Jacobson, A. Rotman, and C.R. Creveling, Molecular Orbital Calculations on Catecholamines; Theory and Experiment, pages 67-76, Molecular and Quantum Pharmacology, Ed. by E. Bergmann and B. Pullman, D. H. Reidel Pub. Co., Dordrecht, Holland (1974).
28. H. M. Fales, S. R. Heller, G. W. A. Milne, and T. Sun, A Convention for Expressing the Mass of High Molecular Weight Compounds, Biomed. Mass Spectrom., 1, 295 (1974).
29. S. R. Heller, H. M. Fales, G. W. A. Milne, R. J. Feldmann, N. R. Daly, D. C. Maxwell, and A. McCormick, An Experimental International Conversational Mass Spectral Search System, Adv. Mass Spectrom., 6, 1037-1042(1974).
30. S. R. Heller, Computer Techniques for Interpreting Mass Spectrometry Spectra, Chapter 10 in Proceedings of the NATO/CNA ASI on Computer Representation and Manipulation of Chemical Information, Ed. by W. T. Wipke, S. R. Heller, R. J. Feldmann, and E. Hyde, John Wiley (1974).
31. J. R. Slagle, C. L. Chang, and S. R. Heller, A Clustering and Data-Reorganizing Algorithm, IEEE Trans. on Systems, Man and Cyber., 125-128(1975).
32. S. R. Heller, J. M. McGuire, and W. L. Budde, Trace Organics by GC/MS, Envirn. Sci. & Tech., 9, 210-213(1975).
33. G. W. A. Milne and S. R. Heller, The MSDC/NIH/EPA Mass Spectral Search System, Am. Lab., 8, 43-49(1976).
34. R. S. Heller, G. W. A. Milne, R. J. Feldmann, and S. R. Heller, An International Mass Spectral Search System (MSSS) V. A Status Report, J. Chem. Inf. Comput. Sci., 16, 176-178(1976). Also available on the ACS Pubs web site: An International Mass Spectral Search System (MSSS) V. A Status Report
35. S. R. Heller, G. W. A. Milne, and R. J. Feldmann, Quality Control of Chemical Data Bases, J. Chem. Inf. Comput. Sci., 16, 232-233(1976). Also available on the ACS Pubs web site: Quality Control of Chemical Data Bases
36. R. J. Feldmann, G. W. A. Milne, and S. R. Heller, Crystallographic Data Retrieval and Display: Projection of Information Systems Development, Trans. of the Amer. Cryst. Assoc., 12, 75-83 (1976).
37. S. R. Heller, G. W. A. Milne, and R. J. Feldmann, A Computer Based Chemical Information System, Science, 195, 253-259(1977).
38. V. A. Vinton, G. W. A. Milne, and S. R. Heller, An On-line Search System for the Mass Spectrometry Literature, Anal. Chim. Acta, 95, 41-49(1977).
39. R. J. Feldmann, G. W. A. Milne, S. R. Heller, A. Fein, J. A. Miller, and B. Koch, An Interactive Substructure Search System, J. Chem. Inf. Comput. Sci., 17, 157-163(1977).
40. S. R. Heller, G. W. A. Milne, and R. J. Feldmann, Mass Spectral Search System, Proceedings of the 5th International CODATA Conference, pp. 549-552, Ed. B. Dreyfus, Pergamon Press (1977).
41. S. R. Heller, The MSDC/EPA/NIH Mass Spectral Search System, in Methods and Standards for Environmental Measurement, Ed. W. H. Kirchhoff, NBS Special Publication 464, 75-80 (1977). National Bureau of Standards, Gaithersburg, MD.
42. G. W. A. Milne and S. R. Heller, The NIH/EPA Chemical Information System, ACS Symposium Series #54, Chapter 3, Ed. by D. Smith, ACS, Washington, DC (1977).
43. S. R. Heller, The NIH/EPA Substructure Search System, Proceedings of the MCA Meeting on Substructure Searching of Large Chemical Files, Paper #5, 21 pages, Ed. by R. B. Smith and P. J. McNulty, MCA, Washington, DC (1977).
44. S. R. Heller, R. S. Heller, A. McCormick, D. C. Maxwell, and G. W. A. Milne, Progress of the MSDC-NIH-EPA Mass Spectral Search System, Adv. Mass Spectrom., 7B, 985-988(1978).
45. J. Zupan, S. R. Heller, and G. W. A. Milne, Three Dimensional Representation of CNMR Spectra , J. Slovenian Chem. Soc., 25, 37-49(1978).
46. D. L. Dalrymple, C. L. Wilkins, G. W. A. Milne, and S. R. Heller, A 13-C NMR Data Base and Search System", Org. Magn. Reson., 11, 535-540(1978).
47. J. Zupan, S. R. Heller, G. W. A. Milne and J. A. Miller, A Substructure Oriented 13- C NMR Chemical Shift Retrieval System, Anal. Chim. Acta, 103, 141-149(1978).
48. J. McGill, S. R. Heller, and G. W. A. Milne, A Computer Based Toxicology Search System, J. Envirn. Pathol. & Toxicol., 2, 539-551(1978).
49. G. W. A. Milne, S. R. Heller, A. E. Fein, E. F. Frees, R. G. Marquart, J. A. McGill, and J. A. Miller, The NIH/EPA Structure and Nomenclature Search System (SANSS) , J. Chem. Inf. Comput. Sci., 18, 181-185 (1978).
50. S. R. Heller, The Chemical Information System, 2nd Annual ADP Conference Proceedings (November 1977), EPA, Washington, DC, pp. D5-D11, 1978.
51. S. R. Heller, G. W. A. Milne, and R. J. Feldmann, A Computer-Based Chemical Information System, pp. 153-155, in Contributed Papers, III International Conference on Computer Research, Education and Technology, Ed. E. Ludena and F. Brito, IVIC, Caracas (1978).
52. S. R. Heller and G. W. A. Milne, The NIH-EPA Chemical Information System, ACS Symposium Series #84, Chapter 10, pages 144-167, "Retrieval of Medicinal Chemical Information", Ed. by W. J. Howe, M. M. Milne and A. F. Pennell, (1978).
53. G. W. A. Milne, J. Zupan, S. R. Heller, and J. A. Miller, Spectra-Structure Relationships in 13-C NMR Spectroscopy. Results from a Large Data Base., Org. Magn. Reson., 12, 289-296(1979).
54. S. R. Heller and G. W. A. Milne, The NIH-EPA Chemical Information System, ACS Symposium Series #94, Chapter 16, pages 255-280, "Monitoring Techniques for Toxic Substances", Ed. by D. Schuetzle, (1979).
55. G. W. A. Milne and S. R. Heller, The NIH/EPA Chemical Information System, pages 85-130, Proceedings of the 3rd Annual EUSIDIC Conference (Copthorne), "Information Policy for the 1980's", Learned Information, Oxford (1979).
56. S. R. Heller and G. W. A. Milne, The NIH/EPA Chemical Information System in support of TSCA Monitoring Activities, Envirn. Sci. & Tech., 13, 798-803(1979).
57. R. G. Marquart, I. Katsnelson, G. W. A. Milne, and S. R. Heller, G. G. Johnson Jr., and R. Jenkins, A Search-Match System for X-Ray Powder Diffraction Data, J. Applied Crystallogr., 12, 629-634(1979).
58. W. Meisel, M. Jolley, S. R. Heller, and G. W. A. Milne, The Role of Pattern Recognition in the Computer Aided Interpretation of Mass Spectra, Anal. Chim. Acta, 112, 407-416(1979).
59. S. R. Heller, The Mass Spectral Search System, Chapter 9 in Practical Mass Spectrometry, Ed. by B. Middleditch, Plenum Press, pages 209-218(1979).
60. S. R. Heller, Environmental Applications of GC-MS, Chapter 10 in Practical Mass Spectrometry, Ed, by B. Middleditch, Plenum Press, pages 219-240(1979).
61. S. R. Heller and G. W. A. Milne, The Quality Control of Chemical Databases, Proceedings of the 6th International CODATA Conference", pp. 137-143, Ed. by B. Dreyfus, Pergamon Press (1979).
62. A. J. Hopfinger, R. Potenzone, Jr., R. Pearlstein, O. Kitkuchi, M. Shapiro, G. W. A. Milne, and S. R. Heller, Structure-Activity Analyzes in the Classification of Toxic Chemicals, Proceedings of the Symposium on Safe Handling of Chemical Carcinogens, Ann Arbor Press, Volume 2, pp. 385-409(1979).
63. S. R. Heller and G. W. A. Milne, Chemcorner, Database, 2, 69-79(1979).
64. C. L. Fisk, G. W. A. Milne, and S. R. Heller, The Status of Infrared Data Bases, J. Chromat., 17, 441-444(1979).
65. G. W. A. Milne, M. L. Melley, and S. R. Heller, The NIH/EPA Chemical Information System, Paper E1, Proceedings of the ASIS 8th Mid-year Spring Meeting, Ed. by A. B. Piternick, Banff(1979).
66. S. R. Heller and G. W. A. Milne, The NIH/EPA Chemical Information System in Support of Structure Elucidation, Vestn. Slov. Kem. Drus., 26, 37-42(1978).
67. S. R. Heller and G. W. A. Milne, The NIH/EPA Chemical Information System, Vol. 1, pages 270-302, Proceedings of the 4th International Conference on Computers in Chemistry, Ed. by V. Koptyug, Novosibirsk, USSR(1979).
68. S. R. Heller, A. McCormick, and T. Sargent, Chapter 6, The Use of Mass Spectral Data in Computer Based Compound Identification, in Biochemical Applications of Mass Spectrometry, First Supplementary Volume, Ed. by G. R. Waller and O. C. Dermer, John Wiley, pp. 103-123(1980).
69. S. R. Heller and G. W. A. Milne, Linking Scientific Data Bases - The NIH/EPA Chemical Information System, Database, 3, 45-57(1980).
70. G. Marquart, L. Marquart, S. Mintz, J. McGill, J. McDaniel, S. R. Heller, and G. W. A. Milne, The NIH/EPA CIS Federal Register Notices Search System , Online, 4, 45-49(1980).
71. S. R. Heller and G. W. A. Milne, The NIH-EPA Chemical Information System in Support of Structure Elucidation, Proceedings of the 1979 COBAC Conference, Anal. Chim. Acta., 122, 117-138(1980).
72. G. W. A. Milne, S. R. Heller, R. S. Heller, and D. P. Martinsen, The NIH-EPA Chemical Information System, Adv. Mass Spectrom., Ed. by A. Quayle, Heyden & Son Ltd., 8B, pp. 1578-1581(1980).
73. G. W. A. Milne and S. R. Heller, "The NIH/EPA Chemical Information System , J. Chem. Inf. Comput. Comput. Sci., 20, 204-211(1980).
74. S. R. Heller and G. W. A. Milne, Online Spectroscopic Data Bases, Amer. Lab., 12, #3, 33-48 (1980).
75. S. R. Heller and G. W. A. Milne, How to Plug Into a Computer Listing of Chemical Information, Industrial Chemical News, 1, 20-21(October 1980).
76. S. R. Heller and G. W. A. Milne, How to Plug Into a Computer Listing of Chemicals, Industrial Chemical News, 1, 18-19(December 1980).
77. S. R. Heller, The Development and Evolution of a Chemical Information System, Proceedings of The 1980 Summer School on Data Processing in Chemistry, Ed. by Z. Hippe, pp. 164-185, Elsevier Press, (1981).
78. J. G. Dillard, S. R. Heller, F. W. McLafferty, G. W. A. Milne, and R. Venkataraghavan, Critical Evaluation of Class II and Class III Electron Impact Mass Spectra. Operating Parameters and Reporting Mass Spectra, Org. Mass Spectrom., 16, 48-49(1981).
79. S. R. Heller, The Economics of Online Data Dissemination, Proceedings of the 7th International CODATA Conference, pp. 578-585, Ed. P. S. Glaeser, Pergamon Press (1981).
80. S. R. Heller and G. W. A. Milne, The NIH/EPA Chemical Information System (CIS), CODATA Bull., 40, 41-44(1981).
81. S. R. Heller, R. Potenzone, G. W. A. Milne and C. Fisk, Computers in Analytical Chemistry , Trends in Anal. Chem., 1, 62-65(1981).
82. S. R. Heller, The EPA/NIH Mass Spectral Database Supplement, Anal. Chem., 53, #9,1094A (1981).
83. S. R. Heller, Summary of Commercially Available Chemical Structure Search Systems, Proceedings of 5th International Online Meeting, Learned Information, pages 369-376(1981).
84. G. W. A. Milne, R. Potenzone Jr., and S. R. Heller, Environmental Uses of the NIH- EPA Chemical Information System, Science, 215, 371-375(1982).
85. S. R. Heller, The NIH/EPA Chemical Information System (CIS) Physical and Chemical Databases, Drexel Library Quarterly, 18, No. 3 & 4, pages 39-66 (1982).
86. G. W. A. Milne, W. L. Budde, S. R. Heller, D. P. Martinsen, and R. G. Oldham, Quality Control and Evaluation of Mass Spectra, Org. Mass Spectrom., 17, 547-552 (1982).
87. S. R. Heller, Where Have All the Data Gone, Anal. Chim. Acta, 136, 1 (1982).
88. S. R. Heller, An Overview of Chemical Structure and Substructure Searching, Proceedings of the 6th International Online Meeting, Learned Information, pages 19-26 (1982).
89. S. R. Heller and R. Potenzone Jr., The NIH/EPA Chemical Information System in Support of Lab Chemists, Kodak Bulletin, 52, #2, pages 7-8 (1982).
90. S. R. Heller, W. L. Budde, D. P. Martinsen, and G. W. A. Milne, The NIH/EPA Mass Spectral Data Base and Search System, Int. J. Mass Spectrom. Ion Phy., 47, 313-316(1983).
91. S. R. Heller and R. Potenzone, Jr., Computer Readable Analytical Chemical Data - Comments on a Critical Need, Trends in Anal. Chem., 2, 218-221 (1983).
92. S. R. Heller, Structure Searching Systems, Proceedings of the 7th International Online Meeting, Learned Information, pp. 81-89 (1983).
93. S. R. Heller, The Use of Computers in the Interpretation and Identification of Mass Spectra Data, Kemia-Kemi, #1, 15-16(1984).
94. S. R. Heller, The NIH/EPA Chemical Information System, J. Info. Processing and Management, 27, 19-31(1984).
95. S. R. Heller, The Chemical Information System and Spectral Databases, J. Chem. Inf. Comput. Sci., 25, 224-231(1985).
96. S. R. Heller, Mass Spectrometry Databases and Search Systems, Chapter 6, pp. 118-132, in Computer Supported Spectroscopic Data Bases, Ed. by J. Zupan, EllisHarwood(1986).
97. S. R. Heller, Computer Based Analytical Chemistry in Siberia, Trends in Anal. Chem., 5, V(1986).
98. S. R. Heller, Factual Databases in Chemistry - A Introductory Overview, Proceedings of 11th International Online Meeting, Learned Information, pp. 39-42(1986).
99. S. R. Heller and S. L. Rawlins, Agriculture Systems Research - A New Initiative, Human Systems Management, 6, 289-296(1986).
100. S. R. Heller, "Online Chemical Information", Chem. Int., 9, 136-138(1987).
101. S. R. Heller and S. R. Lowry, Library Storage and Retrieval Methods in Infrared Spectroscopy , Chapter 11 in Chemical Pattern Recognition Methods in Analytical Spectroscopy, Ed. H. L. C. Meuzelaar, Plenum Press, pages 223-237(1987).
102. S. R. Heller, New Access to Data from the Beilstein Institute: Beilstein Online and SANDRA, Database, 10, pages 47-52(1987).
103. D. W. Bigwood, S. R. Heller, W. R. Wolf, A. Schubert, and J. Holden, SELEX: An Expert System for Evaluating Published Data on Selenium in Foods , Anal. Chim. Acta, 200, pages 411-419(1987).
104. S. R. Heller, SANDRA, J. Am. Chem. Soc., 109, 5055, (1987).
105. S. R. Heller, Chemical Substructure Searching on an PC , Proceedings of 12th International Online Meeting, Learned Information, pages 25-33 (1987).
106. D. W. Bigwood, S. R. Heller, W. R. Wolf, A. Schubert, and J. M. Holden, SELEX: An Expert System for Evaluating Published Selenium Nutrient Data, Proceedings of the 3rd IEEE Conference on Artificial Intelligence Applications, Poster Session Abstracts, pp. 6-9 (1987).
107. S. R. Heller, Numerical Data Acquisition, Dissemination, and Retrieval Systems , Anal. Chim. Acta, 210, 81-87(1988).
108. S. R. Heller and L. H. Gevantman, Numerical Data for Scientists, Envirn. Sci. Tech., 22, 145-147 (1988). Also available on the ACS Pubs web site: Numerical Data for Scientists
109. S. R. Heller, NBS Mass Spectrometry Database , J. Am. Chem. Soc., 110, 3336-3337(1988).
110. S. R. Heller, Computer Activities at the Beilstein Institute, Amer. Biotech. Lab., 6, #6, pages 41-43(1988).
111. S. R. Heller, Computer Databases of the Beilstein and Gmelin Institutes, Chem. Int., 11, 49-52(1989).
112. S. R. Heller, Questions and Issues about the Process of Estimating Properties of Chemicals , Proceedings of the Beilstein Workshop on The Estimation of Physical Data for Organic Compounds, May 1988, Edited by C. Jochum, M. G. Hicks, and J. Sunkel, Springer-Verlag, New York, pp. 19-37(1988).
113. S. R. Heller, User Interface Management Systems (UMIS) in Chemistry , Proceedings of the 13th International Online Meeting, Learned Information, pages 179-182 (1988).
114. S. R. Heller, K. Scott, and D. W. Bigwood, The Need for Data Evaluation of Physical and Chemical Properties of Pesticides, J. Chem. Inf. Comput. Sci., 29, 159-162(1989). Also available on the ACS Pubs web site: The Need for Data Evaluation of Physical and Chemical Properties of Pesticides
115. B. Acock, S. R. Heller, and S. Rawlins, An Electronic Journal for Sharing Data on Crop Growth, Proceedings of the 11th International CODATA Conference, Hemisphere Publishing Corp. (New York), pages 307-311 (1989).
116. S. R. Heller, D. W. Bigwood, P. Laster, and K. Scott, The ARS Pesticide Properties Database, Proceedings of the 11th International CODATA Conference, Hemisphere Publishing Corp. (New York), pages 180-183 (1989).
117. S. R. Heller, The State of Scientific Chemical Information Activities, Chapter 13 in Computer Applications in Chemical Research and Education, edited by J. Brandt and I. K. Ugi, Huthig Verlag, Heidelberg, pp. 281-299(1989).
118. S. R. Heller, D. W. Bigwood, and P. Laster, Using dBase for the Scientific Databases: The ARS Properties Database , Proceedings of the National Online Meeting, Learned Information, Marlton, NJ, pages 179-185, (1989).
119. S. R. Heller, A Survey of Reaction Databases, Proceedings of the 14th International Online Meeting, Learned Information, pages 119-127 (1989).
120. S. R. Heller, Perestroika in Action, Innovating, 1, #3, pages 1 & 4, Autumn, 1989.
121. S. R. Heller and D. W. Bigwood, Expert Systems in Chemistry - Applications to Data Quality , pages 99-120, Proceedings of the 2nd ICIK - 1987, Kanagawa University, Ed. S. Fujiwara, (1990).
122. S. R. Heller and D. E. Meyer, Chemical Substructure Search Software for Personal Computers, Chem. Int., 12, #3, 89-94 (1990).
123. S. R. Heller, The Beilstein Online Database - An Introduction, pages 1-10, Ed. by S. Heller, ACS Symposium Series 436, (1990).
124. J. P. Miksche, M. K. Berlyn, and S. R. Heller, USDA Plant Genome Research Programme: Problems and Solutions , 1991 Chemical Information Conference Proceedings, Springer-Verlag, pp.177-186, (1991).
125. S. R. Heller, Computerized Spectroscopy Databases , Chem. Int., 13, #6, 235- 238(1991).
126. S. R. Heller, The Economic Future of Numeric Databases in Chemistry , Proceedings of the 16th International Online Meeting, Learned Information, pages 47-50, (1991).
127. S. R. Heller, Similarity in Organic Chemistry: A Summary of the Beilstein Institute Conference , J. Chem. Inf., Comput. Sci., 32, 578-579 (1992). Also available on the ACS Pubs web site: Similarity in Organic Chemistry: A Summary of the Beilstein Institute Conference
128. S. R. Heller, A Look at the Future of Chemical Information , Proceedings of the Second International Conference on Computer Applications to Materials and Molecular Science and Engineering, Yokohama, Japan, September 1992, pages 11-16 in "Computer Aided Innovation of New Materials II", North Holland (1993).
129. S. R. Heller, Chemical Information in the 21st Century, Pure & Appl. Chem., 65, 251-256(1993).
130. S. R. Heller, Chemical Information Activities: What the Future Holds, J. Chem. Inf. Comput. Sci., 33, 284-291(1993).
131. S. R. Heller, Gazing into the Future of Chemical Information Activities, 1993 Annecy International Chemical Information Conference Proceedings, pages 16-34(1993).
132. S. R. Heller, Analytical Chemistry Resources on the Internet , Trends in Anal. Chem., 13, 7-12 (1994).
133. S. R. Heller, D. W. Bigwood, and W. May, Expert System for Physical Chemistry Properties - Aqueous Solubility Data , J. Chem. Inf. Comput. Sci., 34, 627-636 (1994). ACS archive url: http://pubs.acs.org/journals/jcisd8/archive.cgi/jcisd8/1994/34/i03/pdf/ci00019a023.pdf
134. S. R. Heller, J. Miksche, and D. Bigwood, The USDA/ARS/NAL Plant Genome Information System - A 3rd Year Status Report, Quarterly Bulletin of the Int'l Assn. of Agric. Info. Specialists, 34, 105-110 (1994).
135. S. R. Heller, The Realities of Developing Computer Readable Numeric Databases , Pure & Appl. Chem., 67, 1027-1030 (1995).
136. S. R. Heller, TrAC/Internet Column , Trends in Anal. Chem., 14, 93-94 (1995).
137. S. R. Heller, et. al. (18 other co-authors), USDA Plant Genome Research Program, Advances in Agronomy, Volume 55, 113,-166 (1995).
138. J. P. Miksche and S. R. Heller, The USDA Plant Genome Research Program, Gen. Eng. News, page 37, October 1, 1995.
139. S. R. Heller, Publishing on the Internet - A Proposal for the Future, Trends in Anal. Chem., 15, 111-114 (1996).
140. S. R. Heller, Chemistry on the Internet - The Road to Everywhere and Nowhere , J. Chem. Inf. Comput. Sci.,36, 205-213(1996). ACS archive url: http://pubs.acs.org/journals/jcisd8/article.cgi/jcisd8/1996/36/i02/pdf/ci950081w.pdf
141. S. R. Heller, The TrAC Internet Column - A Status Report , Trends in Anal. Chem., 15, 251-256 (1996).
142. S. R. Heller, The Beilstein Internet NetFire Database , Trends in Anal. Chem., 16, 112-115, (1997).
143. S. R. Heller, Using The Informant for Searching for Analytical Chemistry Information on the Internet , Trends in Anal. Chem., 16, 174-180 (1997).
144. S. R. Heller, Analytical Chemistry at NIST , Trends in Anal. Chem., 16, 425-431 (1997).
145. S. R. Heller and D. W. Bigwood, The Databases of the USDA/ARS Plant Genome Research Program , Proceedings of the 1996 CODATA Conference, Edited by A. Tsugita (1998), in press.
146. S. R. Heller, Electronic Publishing of Scientific Manuscripts, in The Encyclopedia of Computational Chemistry , Schleyer, P. v. R.; Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, pp 871-875.
147. S. R. Heller, Patent Information on the Internet, Trends in Anal. Chem., 17, 1-9, (1998).
148. S. R. Heller, Electronic Journals for Chemistry , 1997 Chemical Information Conference Proceedings, Infonortics, (Tetbury, UK), pages 17-25, (1997).
149. S. R. Heller, The Beilstein System - An Introduction, The Beilstein System: Strategies for Effective Searching, ACS Chapter 1, Ed. by S. R. Heller, ACS, Washington, DC, pages 1 - 12 (1998).
150. S. R. Heller, Management of the New Infrastructure for Electronic Publications, Paper for the Transition from Paper Study Panel. Published in "The Transition from Paper: Where Are We Going and How Will We Get There?" (Eds. R. Stephen Berry and Anne Simon Moffat) in electronic form only by the American Academy of Arts and Sciences at: http://www.amacad.org/publications/trans.htm, Chapter 6 (2001).
151. S. R. Heller, Databases - The Journals of the 21st Century, Internet J. Chem., 1, #32 (1998). Enhanced version is available on the IJC server.
152. S. Bachrach, R. S. Berry, M. Blume , T. von Foerster, A. Fowler, P. Ginsparg, S. Heller, N. Kestner, A. Odlyzko, A. Okerson, R. Wigington, A. Moffat, Who Should "own" Scientific Papers?, Science, 281, 1459-1460 (1998).
153. S. R. Heller, The History of the NIST-EPA-NIH Mass Spectral Database, Today's Chemist at Work, 8(2), 45-50 (1999).
154. S. R. Heller, S. E. Stein, and J. Klassen, "The History and Evolution of the NIH/EPA/NIST Mass Spectral Database and Search System", in preparation (2002).
155. A. N. Davies, S. R. Heller, and J. W. Jost, Guidelines for the Use of the Internet by IUPAC Bodies, Pure & Appl. Chem., 71, 1587-1591 (1999).
156. S. M. Bachrach and S. R. Heller, The Internet Journal of Chemistry: A Case Study of an Electronic Chemistry Journal, Serials Review, 26, 3-14 (2000).
157. Stephen E. Stein, Stephen R. Heller, and Dmitrii Tchekhovskoi, An Open Standard for Chemical Structure Representation - The IUPAC Chemical Identifier, 2003 Nimes International Chemical Information Conference Proceedings, pages 131-143 (2003).
158. S. R. Heller, Honk if you passed PChem - Thermodynamic Databases on the Web, Today's Chemist at Work, 13(4), 17-19(2004).
159. S. R. Heller and S. M. Bachrach, The Current State of Electronic Publishing of Scientific Manuscripts, in The Encyclopedia of Computational Chemistry , Schleyer, P. v. R.; Schreiner, P. R. ; Schaefer III, H. F.; Jorgensen, W. L. ; Thiel, W. ; Glen, R. C. ; Allinger, N. L. ; Clark, T.; Gasteiger, J.; (Eds.); John Wiley & Sons: Chichester, 2005.
160. Stephen R. Heller and Alan D. McNaught, The IUPAC International Chemical Identifier - InChI, ACS Style Guide, 3rd Edition, pages 101-102, 2006.
161. Stephen R. Heller, The Changing Role of a Publisher and the Publisher of the Future, Drug News & Perspectives, 20, July-August, pages 413-415, 2007.
162. Stephen R. Heller and Alan D. McNaught, The IUPAC International Chemical Identifier - (InChI), Chemistry International, January-February 2009, pages 7-9, 2009
163. Stephen R. Heller and Alan D. McNaught, Representation of Chemical Structures with the IUPAC International Chemical Identifier - (InChI), CRC Handbook of Chemistry & Physics, pages 2:27-28, 90th Edition; 2009-2010 Edition.
164. A. D. McNaught and S. R. Heller, The IUPAC Chemical Identifier (InChI), Principles of Chemical Nomenclature - A Guide to IUPAC Recommendations 2011 Edition, pages 190-196, (ISBN 978-1-94973-007-5), 2011.
165. Igor Pletnev, Andrey Erin, Alan McNaught, Kirill Blinov, Dmitrii Tchekhovskoi, Steve Heller, InChIKey collision resistance: an experimental testing , Journal of Cheminformatics 2012, 4:39 (20 December 2012), doi:10.1186/1758-2946-4-39
166. Stephen Heller Alan McNaught,Igor Pletnev, Stephen Stein, Dmitrii Tchekhovskoi, and Igor Pletnev, InChI - the worldwide chemical structure identifier standard, Journal of Cheminformatics 2013, 5:7 (24 January 2013), doi:10.1186/1758-2946-5-7
167. Stephen R. Heller Alan McNaught, Stephen Stein, and Dmitrii Tchekhovskoi, InChI - the IUPAC International Chemical Identifier, Journal of Cheminformatics 2015, 7:23 (30 May 2015), doi:10.1186/s13321-015-0068-4
168. Antony N. Davies, Peter Lampen, Stephen R. Heller and Evan Bolton, Keeping the Dream Alive, Spectroscopy Europe, Vol. 27 No. 3 (2015).
169. Ray Boucher, Stephen Heller, and Alan McNaught, The Status of the IUPAC InChI Chemical Structure Standard, Chemistry International, July - September 2017, page 48.
170. Ray Boucher, Stephen Heller, Richard Kidd, Alan McNaught, and Igor Pletnev, What on Earth is InChI?, IUPAC 100 Stories, IUPAC 100th Anniversary web site, February 1, 2018
171. Jonathan M Goodman, Igor Pletnev, Paul Thiessen, Evan Bolton and Stephen R Heller, "InChI version 1.06: Now more than 99.99 % reliable", Journal of Cheminformatics, 2021, 13:40 (24 May 2021), DOI https://doi.org/10.1186/s13321-021-00517-
In the above list of publications I have published with over 100 other scholars.
2. S. R. Heller and G. W. A. Milne, "EPA/NIH Mass Spectral Data Base", in five volumes, part of the NBS' National Standard Reference Data Series of Critical Data Compilations (GPO# SN 003-003-01987-9, #NSRDS-NBS 63), 4634 pages, US Government Printing Office (1978 and reprinted 1980). (1500 copies of these volumes were sold and the five volumes are now out of print.)
3. S. R. Heller and G. W. A. Milne, "EPA/NIH Mass Spectral Data Base", Supplement Number One, in two volumes, part of the NBS' National Standard Reference Data Series of Critical Data Compilations, (GPO # SN 003-003-02268-3, NSRDS-NBS 63, Suppl. 1, 2151 pages, December 1980).
4. S. R. Heller, and R. Potenzone, Jr., "Proceedings of the International Conference on Computers in Chemical Research and Education" of the Elsevier Chemistry Symposium Series, Elsevier (Amsterdam), (1983). (1184 copies sold and the book is now out of print.)
5. S. R. Heller, G. W. A. Milne, and L. H. Gevantman, "EPA/NIH Mass Spectral Data Base", Supplement Number Two, in two volumes, part of the NBS' National Standard Reference Data Series of Critical Data Compilations, (GPO # SN 003-003-02268-3, NSRDS-NBS 63, Suppl. 2, 1110 pages, 1983).
6. S. R. Heller and G. W. A. Milne, "Beilstein Online Users Manual - STN Version", Springer-Verlag, (1989).
7. G. W. A. Milne and S. R. Heller, "Beilstein Online Users Manual - DIALOG Version", Springer-Verlag, (1990).
8. S. R. Heller, Editor, "The Beilstein Online Database: Implementation, Content, and Retrieval", ACS Symposium Series 436, (1990). (ISBN: 0-8412-1862-5) 1401 copies sold and the book is now out of print.
9. S. R. Heller, Editor, "The Beilstein System: Strategies for Effective Searching", ACS Professional Reference Series Book - Computer Applications in Chemistry Collection, (1998). (ISBN: 0-8412-3523-6; 872 copies to 6/99) In 1999 this book was translated into Chinese (ISBN: 957-97924-0-2).
Other Books
Editor, ACS Professional Reference Series on Computers in Chemistry,
1992 - 1997.
(A total of four books were published in this series before the ACS
closed its Professional Reference Series books operations in 1997.)
Other Writings
"The Internet - Not Free, Never Was, Never Will Be", Today's Chemist at Work, 7, 19-24, February 1998.
"Computers in Chemistry" column, Industrial Chemist (formerly Industrial Chemical News), 1983 - 1988. (Industrial Chemist ceased publication in October 1988.)
"Automated Process Control" - Feature article, Chemical Week, March 1989.
MSSS, GINA, and SSS User Manuals, 1972-1976, published by NIH/DCRT. MSSS
Manual also published by NTIS (#COM-75-11110, 125 pages (1974)).
Has presented over 200 lectures at domestic and international
conferences and meetings and universities.
Slides from some recent lectures (1997 onwards) are available
online.
ACS Fellow - 2020
IUPAC Fellow - 2016
ACS Columbus and Dayton, Ohio Sections Patterson-Crane Award 2015
CSA Trust Mike Lynch Award 2014 (with Alan McNaught, Igor Pletnev, Steve Stein, and Dmitrii Tchekhovskoi)
ChemSpider Advisory Board Member, 2007 - 2011.
Member of the Functional & Integrative Genomics Advisory Board, 2008 - present.
Member of the Journal of Cheminformatics Editorial Board, 2015 - present
Software Review Editor for the Journal of Chemical Information
and Computer Sciences (JCICS);
now the Journal of Chemical Information
and Modeling (JCIM), 1987 - 2016.
Co-Founder and Member of the Editorial Board of the Internet Journal of Chemistry (IJC), 1997 - 2004.
Member of the Scirus Scientific Advisory Board for the field of Chemistry, 2001 - present.
Member of the Molecular Networks GmbH Scientific Advisory Board, 2002 - 2012.
Member of the NIH/NLM/NCBI PubChem Advisory Committee, 2004 - present.
ACS/CINF 2000 Herman Skolnik Awardee (with Bill Milne)
Member of the Editorial Board of the Journal of Agricultural Genomics (JAG), 1998 - 2001.
Contributing Editor for Trends in Analytical Chemistry, 1995 - 1997.
Member of the Editorial Board of Chemistry International, 1987 - 1995.
Member of the Advisory Board of the ACS Computers in Chemistry Buyers' Guide, 1993 - 1994.
Member of the Advisory Board of Science Software Quarterly, 1987 - 1991.
Member of the Editorial Board of Trends in Analytical Chemistry, 1983 - 1989.
Member of the Editorial Board of Analytica Chimica Acta, 1981 - 1988.
Member of the Advisory Board of the Journal of Chemical Information and Computer Science, 1984 - 1986.
Member of the Advisory Board of the Journal of Documentation (now the Journal of Chemical Information and Computer Science), 1973 - 1975.
EPA Gold Medal for Exceptional Service, December 1976.
EPA & ARS Quality Service Increase (QSI), October 1975 and December 1977,
Performance Cash Awards (1982, 1985, 1986, 1989, 1990, 1991, 1992, and 1993), Cash Bonus Award (1992), and Employee Suggestion Cash Award (1984).
Lady Davis Visiting Professor Fellowship, Hebrew University, Jerusalem, November 1981 - January 1982.
NAS-USSR Exchange Program, 1977.
NIH, NSF and NATO Fellowships 1964-1967.
Nine Rockefeller Foundation Grants for use by the Plant Genome Research Program of the Agricultural Research Service for support of travel of Third World scientists to attend the Plant and Animal Genome meetings held in January 1993-2001, in San Diego, CA.
Japan Industrial Technology Association (JITA) Fellowship and Temporary Researcher, Tsukuba, Japan, February 1991.
Member of the Editorial Board of the Analytica Chimica Acta/Computer Techniques and Optimization, 1976 - 1981.
Advisory Committee, Annual Review of Information Science and Technology (ARIST), 1983- 1985.
Listed in American Men in Science.
Invited lecturer and guest of the Soviet (1977, 1978, 1986), Chinese
(1983, 1986), Bulgarian
(1981), Yugoslavian (1979), Polish (1980),
and Hungarian (1980, 1981) Academies of Sciences.
Invited Keynote Speaker, SUNY-Stony Brook University Chemistry Department 60th Anniversay Celebration, October 2018
Government
Activities
Member of the NIH/NCI ICG (Initiative for Chemical Genomics) External
Scientific Advisory Committee, 2005 - present.
Member of the DOE Biotechnology Consortium Committee, 1995 - 1997.
Member of the Interagency High Performance Computing, Communications, and Information Technology Subcommittee (HPCCIT), 1993 - 1996.
Member of the National Information Initiative (NII) Committee on Applications and Technology (CAT) Information Infrastructure Task Force, 1994 - 1997.
Member of the US-EC Genome Informatics Working Party, 1991 - 1997.
Member of the DOE/NIH Human Genome Joint Informatics Task Force (JITF), 1990 - 1992.
Member of the US Delegation to the EC-US Task Force on Biotechnology Research, 1991 - 1997.
Member of the ARS PC Oversight Committee, 1986 - 1991.
Member ARS BARC Automation Committee, 1986 - 1991.
Member of the ARS Root Zone Water Quality Model (RZWQM) Team, 1986 - 1990.
Project Leader for NBS US-USSR Mass Spectral Data Exchange Project, 1986 - 1988.
EPA Representative to International NIC-CNMR Concordance, 1977 - 1984.
Project Leader for EPA - Yugoslavia Infrared Database Project, 1981 - 1984.
Project Leader for EPA US-USSR Spectroscopic Data Exchange Project, 1977 - 1984.
Chairman, Development Subcommittee, CIS Steering Committee, 1978 - 1982.
EPA Representative, DHEW Toxicology Information Subcommittee, 1973 - 1979.
EPA Representative, IRLG Information Group, 1977 - 1979.
Professional Activities
- International
Member of the Scientific Committee of the German Conference on Chemoinformatics, Goslar, Germany, 2006 - 2012.
Member of the Board of Trustees of the Chemical Structure Association (CSA) Trust, 2005 - 2016.
Chairman, IUPAC Divison VIII Subcommittee on the IUPAC Chemical Identifier (InChI), 2007 - date.
The objective of this project
http://www.iupac.org/projects/2000/2000-025-1-800.html
is the establishment
of a unique label, the IUPAC Chemical
Identifier (InChI), which is a non-proprietary identifier for chemical
substances
being used in printed and electronic data sources thus
enabling easier linking of diverse data compilations.
Details can be found at The InChI Trust web site.
Titular Member, International Union of Pure and Applied Chemistry (IUPAC), Division VIII, Division of Systematic Nomenclature and Structure Representation, 2002 - 2009.
Titular Member, International Union of Pure and Applied Chemistry (IUPAC), Committee on Printed and Electronic Publications, 1996 - 2003.
Board Member and Vice-President, EUROSPEC - The International Spectroscopic Data Bank and Archive Project, the International Spectroscopic Database Society, 2001 - 2016.
Chairman, Working Party on the Internet and IUPAC Publications; IUPAC Committee on Printed and Electronic Publications, 1998 - 1999.
Titular Member, International Union of Pure and Applied Chemistry (IUPAC), Committee on Chemical Databases, 1985 - 1997.
Chairman, IUPAC Committee on Chemical Databases, 1990 - 1995.
Consulting Member, CODATA Task Group on Biological Molecules, 1991 - 2002.
Secretary/Coordinator, IUPAC Committee on Chemical Databases, 1984 - 1989.
Member of the IUPAC Working Party on NMR Computerized Databases, 1987 - 1994.
Member, CODATA Working Group on Teaching and Training, 1987 - 1991.
Professional Activities -
Domestic
IUPAC representative to the Microsoft Bio-IT Alliance, 2007 - 2010.
Board of Directors, Microsoft BioIT Alliance, 2009-2010.
ACS COMP Division Councilor, 1988 - 1995.
ACS Software Advisory Board, 1988 - 1996.
Chairman, Joint Committee on Atomic and Molecular Physical Data (JCAMP), 1993 - 1997.
ACS Representative, Joint Committee on Atomic and Molecular Physics (JCAMP), 1989 - 1997.
Member of Executive Council, Joint Committee on Atomic and Molecular
Physics (JCAMP),
1989 - 1997.
General Member, Joint Committee on Atomic and Molecular Physics (JCAMP), 1978 - 1988.
Member, JCAMP Mass Spectrometry Subcommittee, 1977 - 1988.
Member, JCAMP Infrared Subcommittee, 1979 - 1988.
Member, Advisory Board for the Clearinghouse for Digital Infrared Spectra, 1986 - 1990.
Chairman, ACS COMP Division Nominating Committee, 1986 - 1990.
Chairman, 6th International Conference on Computers in Chemical Research and Education (6th ICCCRE), Washington, DC, July 1982.
Journals, Conferences, and Review
Activities
Reviewer for journals, including the Journal of the American Chemical
Society (JACS), Analytical Chemistry,
Biomedical Mass Spectrometry, Organic
Mass Spectrometry, Organic Magnetic Resonance, Journal of Chemical
Information and Computer Sciences (JCICS),
Journal of Chemical Information and Modeling (JCIM),
Anal. Chim. Acta, Annual Review of Information Science and Technology (ARIST),
Online Review,
Trends in Analytical Chemistry (TrAC), Chemometrics and Intelligent
Laboratory Systems, Journal of Chemoinformatics, and other journals.
Grant Reviewer and Study Section Member for NSF, NIH, NIH/NCI, EPA, NIST (NBS), DOE, ARS, USGS, and the Bill & Melinda Gates Foundation.
Hong Kong Research Grants Council Reviewer, 1991 - 1999.
Book Reviewer for Online Review, JACS, and JCICS.
Software Reviewer for Information Today, Science Software Quarterly, JACS, JCICS, and other publications.
Judge, Third Annual Genome Technology All-Stars.
Organizer/Chairman at professional society meetings,
including American Chemical Society (ACS), American Society for Mass
Spectrometry (ASMS), CODATA, and National and International ONLINE meetings.
Co-Chairman, ADMET-1, San Diego, February, 2004.
Co-Chairman, ADMET-2, San Diego, February, 2005.
Co-Chairman, Chemistry & the Internet - ChemInt'98, Irvine, CA, September 1998.
Co-Chairman, Chemistry & the Internet - ChemInt'99, Washington, DC, September 1999.
Co-Chairman, Chemistry & the Internet - ChemInt2000, Washington, DC, September 2000.
Co-Chairman, Plant Genome I, San Diego, CA., November 1992.
Co-Chairman, Plant Genome II, San Diego, CA., January 1994.
Co-Chairman, Plant Genome III, San Diego, CA., January 1995.
Co-Chairman, Plant Genome IV, San Diego, CA., January 1996.
Chairman, Plant & Animal Genome V - XXVIIII, San Diego, CA, January 1997 - present.
Co-Chairman, Plant & Animal Genome - Asia, Singapore, March 2013, May 2014, July 2015, & July 2016.
Co-Chairman, Plant & Animal Genome - Asia, Seoul, May 2017 & May 2018.
Co-Chairman, Plant & Animal Genome - Asia, Shenzhen, June 2019 & September 2021.
Co-Chairman,
Agricultural Microbes Genome
I, San Diego, CA, January 2000.
Co-Chairman,
Agricultural Microbes Genome
2, San Diego, CA, January 2001.
Member of the International Program Committee,
The International Conference on Trends for Scientific Information Professionals, 1989 - present.
Member, Organizing and Scientific Committees, 10th ICCCRE, Israel, July 1992.
Member, Organizing and Scientific Committees, 9th ICCCRE, Italy, May 1989.
Member, Organizing Committee, 8th ICCCRE, Beijing, China, June 1987.
Member, Scientific Committee, 7th ICCCRE, Garmish, Germany, June 1985.
Member, Scientific Committee, 5th ICCCRE, Toyohashi, Japan, October 1980.
Chairman, Second Conference on Computers in Science, Washington DC, October 1984.
Chairman, Conference on Computers in Biotechnology, Baltimore, MD, January 1986.
Member of the ARS BARC Symposium XI Organizing Committee, 1986.
Consulting Activities
Consultant to the chemical, computer, information,
electronic publishing, and pharmaceutical
industry in the areas of strategic planning, business development,
chemical, numeric, and factual databases,
structure searching, electronic publishing,
chemical and data analysis and manipulation systems
and in-house database and systems design.
Community Activities:
Board of Directors and Membership Chairman, Inn Flying Club , 2014 - 2019.
Board of Directors and Vice-President, Oliver Cromwell Co-op, 2011 - 2019.
Board of Directors, Tifereth Israel Synagogue, Washington, DC , 1977-1980, 1982-1989.
Chairman, Soviet Jewry Committee, Tifereth Israel , 1986 - 1989.
Hobbies:
Flying (Private Pilot as of 8/2006)
Diving (PADI Open Water Diver as of 12/1995)
Tennis
Theater
Travel
Affiliations/Scientific Societies
International Union of Pure and Applied Chemistry
(IUPAC),
1985 - present
Society of Sigma Xi (Life Member)
American Chemical Society (ACS) (Emeritus)
American Society for Mass Spectrometry (ASMS) (Emeritus)
Office Address
Electronic Mail
Address
World Wide Web
This resume was last updated on 25 June 2024