Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS)
Author:
Affiliation:
1. Bio- and Chemoinformatics Department, Merck KGaA, Darmstadt D-64271, Germany, and Institute of Biomedical Chemistry of Russian Academy of Medical Sciences, Pogodinskaya Street, 10, Moscow 119832, Russia
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm0010670
Reference24 articles.
1. Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
2. Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
3. A Scoring Scheme for Discriminating between Drugs and Nondrugs
4. A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
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