Machine Learning Estimates of Natural Product Conformational Energies

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider. Machine Learning Estimates of Natural Product Conformational Energies. PLoS Computational Biology, 10(1), 2014. [doi]

Authors

Matthias Rupp

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Matthias R. Bauer

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Rainer Wilcken

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Andreas Lange

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Michael Reutlinger

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Frank M. Boeckler

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Gisbert Schneider

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