From: A dataset for machine learning-based QSAR models establishment to screen beta-lactamase inhibitors using the FARM -BIOMOL chemical library
Label
Name of data file/data set
File types
(file extension)
Data repository and identifier (DOI or accession number)
Data file 1
Beta-lactmase_inhibitoryscreen.csv
.csv
Zenodo (https://doiorg.publicaciones.saludcastillayleon.es/10.5281/zenodo.13378954) [10]
Data file 2
Docking_vina.zip
.zip
Data file 3
Docking_dock6.zip
Data file 4
Docking_consensus.zip
Data file 5
RandomForest-QSAR.zip
Data file 6
Logistic-QSAR.zip
Data set 1
ThanetPi/ML-QSAR-Docking-Proof-of-Concept: v.1.0.2024
Zenodo (https://doiorg.publicaciones.saludcastillayleon.es/10.5281/zenodo.13378560) [11]
