Shape-Based Descriptors for Efficient Structure-Based Fragment Growing

Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey. Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. Journal of Chemical Information and Computer Sciences, 60(12):6269-6281, 2020. [doi]

Abstract

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