Xuhan Liu

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 7

Top Topics

Computationally Tractable

Function Approximation

Software Platform

Exploration Strategy

Top Venues

J. Cheminformatics

Briefings Bioinform.

Genom. Proteom. Bioinform.

Nucleic Acids Res.

Publications

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) (2023)
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
an integrative platform for engineering, visualization and analysis of features from molecular sequences, structural and ligand data sets. Nucleic Acids Res. 50 (W1) (2022)
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) (2021)
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) (2021)
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) (2019)
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) (2019)
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) (2018)