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extensionUser guide

TopP-S is a topological learning software to accurately calculate partition coefficient (LogP) and aqueous solubility (LogS)

Your result is a zip file that contains predicted LogP and LogS for the given molecule.


1 Kedi Wu, Zhixiong Zhao, Renxiao Wang and Guo-Wei Wei, TopP–S: Persistent Homology-Based Multi-Task Deep Neural Networks for Simultaneous Predictions of Partition Coefficient and Aqueous Solubility, Journal of Computational Chemistry, 39, 1444-1454 (2018) Read

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