ClassicalGSG logP dataset
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Dataset:6694292
DOI10.5281/zenodo.4531015Zenodo4531015MaRDI QIDQ6694292
Dataset published at Zenodo repository.
Author name not available (Why is that?)
Publication date: 19 November 2020
Copyright license: No records found.
This dataset includes small molecules which were used in our paperClassicalGSG: Prediction of logP Using Classical Molecular Force Fields and Geometric Scattering for Graph. It contains multiple test and training sets where each set includes mol2, CGenFF parameter (str), GAFF parameter, and logP value files of the molecules.
This page was built for dataset: ClassicalGSG logP dataset
