Data for: Assessment of Several Machine Learning Methods Towards Reliable Prediction of Hormone Receptor Binding Affinity

Published: 22 June 2017| Version 1 | DOI: 10.17632/kn44r3v5p3.1
Contributor:
Junming Ho

Description

PM6 optimised cartesian coordinates of 1589 organic molecules extracted from the EADB.

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Categories

Protein-Ligand Interaction, Computational Chemistry

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