Xuhan Liu
5PUBLICATIONS
13CO-AUTHORS
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Publications (5)
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|May 07, 2022
iFeatureOmega: an integrative platform for engineering, visualization and analysis of features from molecular sequences, structural and ligand data sets.Zhen Chen, Xuhan Liu, Pei Zhao
|Nov 13, 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
|Sep 26, 2021
GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.M Sicho, X Liu, D Svozil
|Aug 18, 2020
Computational Approaches for De Novo Drug Design: Past, Present, and Future.Xuhan Liu, Adriaan P IJzerman, Gerard J P van Westen
|May 26, 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
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Frequent Collaborators
4 joint publications
Gerard J P van Westen
3 joint publications
Adriaan P IJzerman
2 joint publications
Kai Ye
2 joint publications
Herman W T van Vlijmen
1 joint publications
M Sicho
1 joint publications
D Svozil
1 joint publications
Michael T M Emmerich
1 joint publications
Chen Li
1 joint publications
Fuyi Li
1 joint publications
Robin B Gasser
