A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication
Author:
Affiliation:
1. Unilever Centre for Molecular Science Informatics, Chemistry Department, University of Cambridge, Cambridge CB2 1EW, United Kingdom
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/ci0500177
Reference23 articles.
1. Chemical Similarity Searching
2. Molecular similarity: a key technique in molecular informatics
3. Approaches to Measure Chemical Similarity - a Review
4. Virtual screening and fast automated docking methods
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