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extensionUser guide

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 and Guo-Wei Wei, Quantitative toxicity prediction using topology based multi-task deep neural networks, Journal of Chemical Information and Modeling, 58, 520-531 (2018) Read

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