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 HoDescription
PM6 optimised cartesian coordinates of 1589 organic molecules extracted from the EADB.
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Categories
Protein-Ligand Interaction, Computational Chemistry