Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds

Hanna Geppert, Tamás Horváth, Thomas Gärtner, Stefan Wrobel, Jürgen Bajorath. Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds. Journal of Chemical Information and Computer Sciences, 48(4):742-746, 2008. [doi]

Abstract

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