Tailong Lei

Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets

Minfeng Zhu, Yu Kang, Elaine Lai‐Han Leung et al. · Briefings in Bioinformatics · 2020 · 180 citations

ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling

Tailong Lei, Youyong Li, Yunlong Song et al. · Journal of Cheminformatics · 2016 · 168 citations · Full text

ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches

Tailong Lei, Chao Shen, Zhe Wang et al. · Journal of Chemical Information and Modeling · 2019 · 133 citations

Engineering, Machine Learning, Hit Identification +17

Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein–RNA complexes

Fu Chen, Huiyong Sun, Junmei Wang et al. · RNA · 2018 · 122 citations · Full text

ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches

Tailong Lei, Huiyong Sun, Yu Kang et al. · Molecular Pharmaceutics · 2017 · 95 citations