build Data Input
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, Guo-Wei Wei, TopP-S: Persistent homology based multitask deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility
Contact us : wei at math.msu.edu
Webmaster : wukedi at msu.edu