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Xuhan Liu
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Journal Articles
- 2023
- [j7]Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
:
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning. J. Cheminformatics 15(1): 24 (2023) - 2022
- [j6]Zhen Chen, Xuhan Liu
, Pei Zhao, Chen Li
, Yanan Wang, Fuyi Li
, Tatsuya Akutsu, Chris Bain, Robin B. Gasser
, Junzhou Li, Zuoren Yang, Xin Gao
, Lukasz A. Kurgan
, Jiangning Song
:
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
, Xuhan Liu
, Daniel Svozil
, Gerard J. P. van Westen
:
GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics. J. Cheminformatics 13(1): 73 (2021) - [j4]Xuhan Liu
, Kai Ye
, Herman W. T. van Vlijmen
, Michael T. M. Emmerich
, Adriaan P. IJzerman
, Gerard J. P. van Westen
:
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. J. Cheminformatics 13(1): 85 (2021) - 2019
- [j3]Zhen Chen
, Xuhan Liu, Fuyi Li
, Chen Li
, Tatiana T. Marquez-Lago, André Leier
, Tatsuya Akutsu
, Geoffrey I. Webb
, Dakang Xu, Alexander Ian Smith, Lei Li
, Kuo-Chen Chou, Jiangning Song
:
Large-scale comparative assessment of computational predictors for lysine post-translational modification sites. Briefings Bioinform. 20(6): 2267-2290 (2019) - [j2]Xuhan Liu
, Kai Ye
, Herman W. T. van Vlijmen
, Adriaan P. IJzerman
, Gerard J. P. van Westen
:
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
, Ningning He
, Yu Huang
, Wen Tao Qin
, Xuhan Liu
, Lei Li
:
Integration of A Deep Learning Classifier with A Random Forest Approach for Predicting Malonylation Sites. Genom. Proteom. Bioinform. 16(6): 451-459 (2018)
Parts in Books or Collections
- 2021
- [p1]Xuhan Liu
, Adriaan P. IJzerman
, Gerard J. P. van Westen
:
Computational Approaches for De Novo Drug Design: Past, Present, and Future. Artificial Neural Networks, 3rd Edition 2021: 139-165
Coauthor Index
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