Data Results for Molecular Docking (Binding Affinities and Interactions) and ADMETox Evaluation

Name: Data Results for Molecular Docking (Binding Affinities and Interactions) and ADMETox Evaluation
Creator: Conrado Monterola
Published: 2025-07-21T15:52:46.150Z
Keywords: Molecular Docking

Monterola, Conrado; Alcantara, Jaiden Neil; Tabanguil, Jan Renchie Angelo; Arenas, Princess

doi:10.17632/fnjm6pbxyt.1

Data Results for Molecular Docking (Binding Affinities and Interactions) and ADMETox Evaluation

Published: 21 July 2025| Version 1 | DOI: 10.17632/fnjm6pbxyt.1

Contributors:

Conrado Monterola, Jaiden Neil Alcantara, Jan Renchie Angelo Tabanguil, Princess Arenas

Description

The following files include the raw data for the molecular docking results, which contain the binding affinities used in the calculation of the inhibition constant as well as the binding interactions of each compound, ADMETox evaluation, and the smiles codes for each compound.

Data Results for Molecular Docking (Binding Affinities and Interactions) and ADMETox Evaluation

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