| Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks K Wu, GW Wei Journal of chemical information and modeling 58 (2), 520-531, 2018 | 142 | 2018 |
| Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges DD Nguyen, Z Cang, K Wu, M Wang, Y Cao, GW Wei arXiv preprint arXiv:1804.10647, 2018 | 141 | 2018 |
| A topological approach for protein classification Z Cang, L Mu, K Wu, K Opron, K Xia, GW Wei Computational and Mathematical Biophysics 3 (1), 2015 | 119 | 2015 |
| TopP–S: Persistent homology‐based multi‐task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility K Wu, Z Zhao, R Wang, GW Wei Journal of computational chemistry, 2018 | 83 | 2018 |
| Breaking the polar‐nonpolar division in solvation free energy prediction B Wang, C Wang, K Wu, GW Wei Journal of computational chemistry 39 (4), 217-233, 2018 | 29 | 2018 |
| Integration of Topological Data Analysis and Machine Learning for Small Molecule Property Predictions K Wu Michigan State University, 2018 | | 2018 |
