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Published February 24, 2021 | Version 0.0.1
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LogP datasets

Authors/Creators

  • 1. Michigan State University

Description

This dataset includes logP datasets used for training and testing the logP predictor models in the paper titled "Predicting partition coefficients for the SAMPL7physical property challenge using the ClassicalGSG method". The datasets are in SDF format.

Notes

partition coefficient, logP, ClassicalGSG, prediction, Geometric Scattering for graphs, Neural networks

Files

datasets.zip

Files (14.9 MB)

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md5:3081ff732536c39d76c9e6307b2c0b75
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