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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.

local_libraryReferences

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

perm_contact_calendarContact Information

Contact us : wei at math.msu.edu
Webmaster : wukedi at msu.edu