David Weininger

David Weininger (1952–2016) was an American cheminformaticist.[1] He was most notable for inventing the chemical line notations for structures (SMILES),[2][3][4] substructures (SMARTS) and reactions (SMIRKS).[1] He received his PhD degree in 1978 on a study of Polychlorinated biphenyls in Lake Michigan at the University of Wisconsin–Madison.[5] He also founded Daylight Chemical Information Systems, Inc.[6]

David Weininger
Weininger in 1992
Born(1952-08-05)August 5, 1952
Brooklyn, New York, U.S.
DiedNovember 2, 2016(2016-11-02) (aged 64)
Santa Fe, New Mexico
Alma materUniversity of Rochester, University of Bristol, University of Wisconsin–Madison
Scientific career
FieldsCheminformatics, computational chemistry
InstitutionsUnited States Environmental Protection Agency, Pomona College, Daylight Chemical Information Systems

The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau[7] by Ed Regis (author) was published in 2003, featuring Weininger and other leaders of informatics in the Santa Fe area.

References
  1. Johann Gasteiger; Yvonne Martin; Anthony Nicholls; Tudor I Oprea; Terry Stouch (3 February 2018). "Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016". Journal of Computer - Aided Molecular Design. 32 (2): 313–319. doi:10.1007/S10822-018-0104-3. ISSN 0920-654X. PMID 29397518. Wikidata Q49349899.
  2. David Weininger (1 February 1988). "SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules" (PDF). Journal of Chemical Information and Computer Sciences. 28 (1): 31–36. doi:10.1021/CI00057A005. ISSN 1520-5142. Wikidata Q28090714.
  3. David Weininger; Arthur Weininger; Joseph L. Weininger (1 May 1989). "SMILES. 2. Algorithm for generation of unique SMILES notation" (PDF). Journal of Chemical Information and Computer Sciences. 29 (2): 97–101. doi:10.1021/CI00062A008. ISSN 1520-5142. Wikidata Q28090803.
  4. David Weininger (1 August 1990). "SMILES. 3. DEPICT. Graphical depiction of chemical structures". Journal of Chemical Information and Computer Sciences. 30 (3): 237–243. doi:10.1021/CI00067A005. ISSN 1520-5142. Wikidata Q56066313.
  5. David Weininger (19 May 1978), Accumulation of PCBs by lake trout in Lake Michigan (PDF), Wikidata Q109329683
  6. "About Daylight". Daylight Chemical Information Systems, Inc.
  7. Regis, Edward (2003). The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau. New York: W. W. Norton. ISBN 978-0393021233.
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