SiliS-PTOXRA, acronym of DRY-in Silico Screening & Prediction of Toxic Hazard and Risk Assessment, was developed for the prediction of toxicological endpoints. This computer program was implemented in Java (version 1.8) programming language and, thus, it is fully cross-platform. For its development the toolkits Chemical Development Kit (CDK) (version 1.4.19), QuBiLS-MAS, AMBIT (version 0.0.4) and WEKA (version 3.8.0) were used as libraries for the manipulation of the chemical structures, computation of the molecular descriptors, computation of the applicability domain (AD) and prediction by using the models built, respectively.

Download

Supported environments

windowsmacOSlinuxsolarisOSfreeBSD_OS

Screenshots