Group Contribution Models For Tetrahymena Pyriformis Toxicity

A data set of several models for Tetrahymena Pyriformis Toxicity (THPT) based on additive schemes (group contribution models). Model building is performed by means of Ambit-GCM software (http://ambit.sourceforge.net/, https://doi.org/10.5281/zenodo.1470793) The main goal of the created THPT models is to illustrate Ambit-GCM software usage. Typically biological activity is not well modeled by means of additive schemes. In current modeling setup we demonstrate combination of group contribution scheme with external descriptors.