Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics

Wan F. Lau, Jane M. Withka, David Hepworth, Thomas V. Magee, Yuhua J. Du, Gregory A. Bakken, Michael D. Miller, Zachary S. Hendsch, Venkataraman Thanabal, Steve A. Kolodziej, Li Xing, Qiyue Hu, Lakshmi S. Narasimhan, Robert Love, Maura E. Charlton, Samantha Hughes, Willem P. van Hoorn, James E. Mills. Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics. Journal of Computer-Aided Molecular Design, 25(7):621-636, 2011. [doi]

Abstract

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