Group Contribution Models for Tetrahymena Pyriformis Toxicity
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/1471679
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资源简介：
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.
创建时间：
2024-08-02
