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Xuhan Liu
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2020 – today
- 2023
- [j7]Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
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DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning. J. Cheminformatics 15(1): 24 (2023) - 2022
- [j6]Zhen Chen
iFeatureOmega: an integrative platform for engineering, visualization and analysis of features from molecular sequences, structural and ligand data sets. Nucleic Acids Res. 50(W1): 434-447 (2022) - 2021
- [j5]Martin Sícho
GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics. J. Cheminformatics 13(1): 73 (2021) - [j4]Xuhan Liu
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. J. Cheminformatics 13(1): 85 (2021) - [p1]Xuhan Liu
Computational Approaches for De Novo Drug Design: Past, Present, and Future. Artificial Neural Networks, 3rd Edition 2021: 139-165
2010 – 2019
- 2019
- [j3]Zhen Chen
Large-scale comparative assessment of computational predictors for lysine post-translational modification sites. Briefings Bioinform. 20(6): 2267-2290 (2019) - [j2]Xuhan Liu
An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor. J. Cheminformatics 11(1): 35:1-35:16 (2019) - 2018
- [j1]Zhen Chen
Integration of A Deep Learning Classifier with A Random Forest Approach for Predicting Malonylation Sites. Genom. Proteom. Bioinform. 16(6): 451-459 (2018)
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