samarjeet / logp_prediction

#logP prediction model

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logp_prediction

This project builds a tensorflow model to predict logP of small drug-like molecules.

Prasad, S., Brooks, B.R. A deep learning approach for the blind logP prediction in SAMPL6 challenge. J Comput Aided Mol Des 34, 535–542 (2020). https://doi.org/10.1007/s10822-020-00292-3

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#logP prediction model


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