10.1007/s10822-021-00405-6 | Papers

Papers: 10.1007/s10822-021-00405-6

Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge

Cited by: 9
Author(s): Eelke B. Lenselink, Pieter F. W. Stouten
Published: about 4 years ago

Molecular Property Prediction with Message Passing Neural Networks
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Machine Learning Library Extensions
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A collection of chemoinformatics and machine-learning software written in C++ and Python
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deprecated sklearn package, use scikit-learn instead
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