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Table 2 List of software and packages that implements an automated QSAR modeling workflow

From: Towards reproducible computational drug discovery

Software/toolDescriptionURLRefs.
Standalone and online applications
 AZOrangeGraphical programming environment based on the Python package “Orange” for performing QSAR modeling workflowhttps://github.com/AZcompTox/AZOrange/ [255]
 AutoQSARAutomated machine learning tool for QSAR modeling using best practice guidelineshttps://www.schrodinger.com/autoqsar/ [256]
 AutoWekaAutomated data mining software for QSAR modeling based on the machine learning software Wekahttps://www.mt.mahidol.ac.th/autoweka/ [257]
 ChemSAROnline platform for QSAR modeling that is capable of handling chemical structures, computing molecular descriptors, model building as well as producing result plotshttp://chemsar.scbdd.com/ [260]
Tools implemented in R language
 cambR package that is capable of handling chemical structures, compute descriptors and build QSAR modelshttps://github.com/cambDI/camb/ [262]
 EzqsarR package for building QSAR modelshttps://github.com/enanomapper/RRegrs/ [263]
 RRegrsR package for building multiple regression models using pre-configured and customizable workflowhttps://github.com/enanomapper/RRegrs/ [261]