Xuhan Liu

According to our database, Xuhan Liu authored at least 8 papers between 2018 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning.

Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

J. Cheminformatics, December, 2023

2022

<i>iFeatureOmega: </i> an integrative platform for engineering, visualization and analysis of features from molecular sequences, structural and ligand data sets.

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

Nucleic Acids Res., 2022

2021

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.

Martin Sícho, Xuhan Liu, Daniel Svozil, Gerard J. P. van Westen

J. Cheminformatics, 2021

DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology.

Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen

J. Cheminformatics, 2021

Computational Approaches for De Novo Drug Design: Past, Present, and Future.

Xuhan Liu, Adriaan P. IJzerman, Gerard J. P. van Westen

Proceedings of the Artificial Neural Networks - Third Edition., 2021

2019

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor.

Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

J. Cheminformatics, 2019

Large-scale comparative assessment of computational predictors for lysine post-translational modification sites.

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

Briefings Bioinform., 2019

2018

Integration of A Deep Learning Classifier with A Random Forest Approach for Predicting Malonylation Sites.

Zhen Chen, Ningning He, Yu Huang, Wen Tao Qin, Xuhan Liu, Lei Li

Genom. Proteom. Bioinform., 2018