David Weininger
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David Weininger
David Weininger
DaveWeininger July1992.jpg
Weininger in 1992
Born(1952-08-05)August 5, 1952
DiedNovember 2, 2016(2016-11-02) (aged 64)
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

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]

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.


  1. ^ a b 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.

  This article uses material from the Wikipedia page available here. It is released under the Creative Commons Attribution-Share-Alike License 3.0.



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