Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier

Andreas Bender, Hamse Y. Mussa, Robert C. Glen, Stephan Reiling. Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier. Journal of Chemical Information and Computer Sciences, 44(1):170-178, 2004. [doi]

Abstract

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