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Cheminformatics.
- Source :
- Communications of the ACM; Nov2012, Vol. 55 Issue 11, p65-75, 11p, 5 Diagrams
- Publication Year :
- 2012
-
Abstract
- The article discusses the impact of molecular databases and open-source chemistry software on drug discovery in chemistry research, focusing on the use of computer science technology to manage chemical information. Topics include data mining, the Chemical Markup Language, the use of algorithms in molecular encoding, the International Chemical Identifier for computational chemical matching, predictive modeling, molecular design, and the use of electronic lab notebooks in knowledge management. The chemical databases ChEMBLdb and PubChem are mentioned.
Details
- Language :
- English
- ISSN :
- 00010782
- Volume :
- 55
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Communications of the ACM
- Publication Type :
- Periodical
- Accession number :
- 83380852
- Full Text :
- https://doi.org/10.1145/2366316.2366334