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Xuhan Liu

5PUBLICATIONS

13CO-AUTHORS

Automated software engineeringPharmaceutical delivery technologiesComputer aided designBiomolecular modelling and designDeep learning

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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 A<sub>2A</sub> 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

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

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