Cheminformatics (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Cheminformatics" in English language version.

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doi.org

  • Thomas Engel (2006). "Basic Overview of Chemoinformatics". J. Chem. Inf. Model. 46 (6): 2267–77. doi:10.1021/ci600234z. PMID 17125169.
  • F.K. Brown (1998). "Ch. 35. Chemoinformatics: What is it and How does it Impact Drug Discovery". Annual Reports in Medicinal Chemistry. Vol. 33. pp. 375–384. doi:10.1016/S0065-7743(08)61100-8. ISBN 9780120405336.;[page needed] see also Brown, Frank (2005). "Chemoinformatics–A Ten Year Update". Current Opinion in Drug Discovery & Development. 8 (3): 296–302.
  • Varnek, A.; Baskin, I. (2011). "Chemoinformatics as a Theoretical Chemistry Discipline". Molecular Informatics. 30 (1): 20–32. doi:10.1002/minf.201000100. PMID 27467875. S2CID 21604072.
  • Weininger, David (1988). "SMILES, a Chemical Language and Information System: 1: Introduction to Methodology and Encoding Rules". Journal of Chemical Information and Modeling. 28 (1): 31–36. doi:10.1021/ci00057a005. S2CID 5445756.
  • Murray-Rust, Peter; Rzepa, Henry S. (1999). "Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles". Journal of Chemical Information and Computer Sciences. 39 (6): 928–942. doi:10.1021/ci990052b.
  • Kutchukian, Peter; Lou, David; Shakhnovich, Eugene (2009). "FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules occupying Druglike Chemical". Journal of Chemical Information and Modeling. 49 (7): 1630–1642. doi:10.1021/ci9000458. PMID 19527020.
  • Sushko, Yurii; Novotarskyi, Sergii; Körner, Robert; Vogt, Joachim; Abdelaziz, Ahmed; Tetko, Igor V. (2014). "Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process". Journal of Cheminformatics. 6 (1): 48. doi:10.1186/s13321-014-0048-0. PMC 4272757. PMID 25544551.

genomicglossaries.com

molinspiration.com

nih.gov

pubmed.ncbi.nlm.nih.gov

  • Thomas Engel (2006). "Basic Overview of Chemoinformatics". J. Chem. Inf. Model. 46 (6): 2267–77. doi:10.1021/ci600234z. PMID 17125169.
  • Varnek, A.; Baskin, I. (2011). "Chemoinformatics as a Theoretical Chemistry Discipline". Molecular Informatics. 30 (1): 20–32. doi:10.1002/minf.201000100. PMID 27467875. S2CID 21604072.
  • Kutchukian, Peter; Lou, David; Shakhnovich, Eugene (2009). "FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules occupying Druglike Chemical". Journal of Chemical Information and Modeling. 49 (7): 1630–1642. doi:10.1021/ci9000458. PMID 19527020.
  • Sushko, Yurii; Novotarskyi, Sergii; Körner, Robert; Vogt, Joachim; Abdelaziz, Ahmed; Tetko, Igor V. (2014). "Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process". Journal of Cheminformatics. 6 (1): 48. doi:10.1186/s13321-014-0048-0. PMC 4272757. PMID 25544551.

ncbi.nlm.nih.gov

phys.org

researchgate.net

semanticscholar.org

api.semanticscholar.org

  • Varnek, A.; Baskin, I. (2011). "Chemoinformatics as a Theoretical Chemistry Discipline". Molecular Informatics. 30 (1): 20–32. doi:10.1002/minf.201000100. PMID 27467875. S2CID 21604072.
  • Weininger, David (1988). "SMILES, a Chemical Language and Information System: 1: Introduction to Methodology and Encoding Rules". Journal of Chemical Information and Modeling. 28 (1): 31–36. doi:10.1021/ci00057a005. S2CID 5445756.

steinbeck-molecular.de

u-strasbg.fr

infochim.u-strasbg.fr

web.archive.org