ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics - researchr publication authors

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M. Stuart Armstrong, Garrett M. Morris, Paul W. Finn, Raman Sharma, Loris Moretti, Richard I. Cooper, W. Graham Richards. ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics. Journal of Computer-Aided Molecular Design, 24(9):789-801, 2010. [doi]

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