Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization

Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle. Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization. Journal of Chemical Information and Computer Sciences, 57(12):3079-3085, December 2017. [doi]

Authors

Samo Turk

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Benjamin Merget

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Friedrich Rippmann

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Simone Fulle

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