Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
Author:
Affiliation:
1. Unilever Centre for Molecular Science Informatics, Chemistry Department, University of Cambridge, Cambridge CB2 1EW, United Kingdom
2. Aventis Pharmaceuticals, 1041 Route 202−206, Bridgewater, New Jersey 08807
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci034207y
Reference32 articles.
1. Virtual screening—an overview
2. Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
3. Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data
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