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

From: Towards reproducible computational drug discovery

Standalone and online applications
 AZOrangeGraphical programming environment based on the Python package “Orange” for performing QSAR modeling workflow [255]
 AutoQSARAutomated machine learning tool for QSAR modeling using best practice guidelines [256]
 AutoWekaAutomated data mining software for QSAR modeling based on the machine learning software Weka [257]
 ChemSAROnline platform for QSAR modeling that is capable of handling chemical structures, computing molecular descriptors, model building as well as producing result plots [260]
Tools implemented in R language
 cambR package that is capable of handling chemical structures, compute descriptors and build QSAR models [262]
 EzqsarR package for building QSAR models [263]
 RRegrsR package for building multiple regression models using pre-configured and customizable workflow [261]