14 citations · 27 across the 5 of their papers we have counts for
Showing 2017Show all
3 papers · 1 filter
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…
q-bio.QM2017★ 14 cited
Quantitative toxicity prediction using topology based multi-task deep neural networks
Kedi Wu, Guo-Wei Wei
The understanding of toxicity is of paramount importance to human health and environmental protection. Quantitative toxicity analysis has become a new standard in the field. This w…
q-bio.QM2017★ 1 cited
Comparison of multi-task convolutional neural network (MT-CNN) and a few other methods for toxicity prediction
Kedi Wu, Guo-Wei Wei
Toxicity analysis and prediction are of paramount importance to human health and environmental protection. Existing computational methods are built from a wide variety of descripto…