ClassicalGSG logP dataset (Q6694292)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | ClassicalGSG logP dataset |
Dataset published at Zenodo repository. |
Statements
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.
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19 November 2020
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