build Data Input
TopTox is a software to calculate element-specific topological descriptors (ESTDs) for toxicity endpoint predictions.
Your result is a zip file that contains ESTDs for the uploaded molecule. ESTDs for frequent element-specific networks (ESNs) are calculated by default, and further combinations can be also be calculated via source code.
1 Kedi Wu, Guo-Wei Wei, Quantitative toxicity prediction using topology based multi-task deep neural networks.
Contact us : wei at math.msu.edu
Webmaster : wukedi at msu.edu