most citedTopP-S: Persistent homology based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility

5 citations · 5 across the 1 of their papers we have counts for

collaborators

1 paper

q-bio.QM2017★ 5 cited

TopP-S: Persistent homology based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility

Kedi Wu, Zhixiong Zhao, Renxiao Wang +1

Aqueous solubility and partition coefficient are important physical properties of small molecules. Accurate theoretical prediction of aqueous solubility and partition coefficient p…