Bioisosteric Similarity of Molecules Based on Structural Alignment and Observed Chemical Replacements in Drugs
Author:
Affiliation:
1. Center for Bioinformatics, Saarland University, Campus Building C7.1, D-66123 Saarbruecken, Germany
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci8003418
Reference66 articles.
1. ADMET in silico modelling: towards prediction paradise?
2. Integration of virtual and high-throughput screening
3. Chemical Similarity Searching
4. Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
5. Substructure searching methods: Old and new
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