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ClassicalGSG logP dataset - MaRDI portal

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ClassicalGSG logP dataset

From MaRDI portal



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.



Description

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

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