Software/tool | Description | URL | Refs. |
---|---|---|---|
Standalone and online applications | |||
AZOrange | Graphical programming environment based on the Python package “Orange” for performing QSAR modeling workflow | [255] | |
AutoQSAR | Automated machine learning tool for QSAR modeling using best practice guidelines | [256] | |
AutoWeka | Automated data mining software for QSAR modeling based on the machine learning software Weka | [257] | |
ChemSAR | Online 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 | |||
camb | R package that is capable of handling chemical structures, compute descriptors and build QSAR models | [262] | |
Ezqsar | R package for building QSAR models | [263] | |
RRegrs | R package for building multiple regression models using pre-configured and customizable workflow | [261] |