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20 results in Authors: Hongming Chen

REINVENT 2.0 – an AI Tool for De Novo Drug Design

Thomas Blaschke, Josep Arús-Pous, Hongming Chen, Christian Margreitter, Christian Tyrchan, Ola Engkvist, Kostas Papadopoulos, Atanas Patronov

3,334

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Theoretical and Computational Chemistry

Working Paper

A De Novo Molecular Generation Method Using Latent Vector Based Generative Adversarial Network

Oleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, Josep Arús-Pous, Esben Jannik Bjerrum, Ola Engkvist, Hongming Chen

1,819

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Biological and Medicinal Chemistry

Working Paper

De Novo Molecule Design Through Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites

Mingyuan Xu, Ting Ran, Hongming Chen

726

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Citations

Theoretical and Computational Chemistry

Working Paper

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

Panagiotis-Christos Kotsias, Josep Arús-Pous, Hongming Chen, Ola Engkvist, Christian Tyrchan, Esben Jannik Bjerrum

1,981

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Citations

Theoretical and Computational Chemistry

Working Paper

Comparative Study of Deep Generative Models on Chemical Space Coverage (v18)

Jie Zhang, Rocío Mercado, Ola Engkvist, Hongming Chen

1,351

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Citations

Theoretical and Computational Chemistry

Working Paper

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

Yuyao Yang, Shuangjia Zheng, Shimin Su, Jun Xu, Hongming Chen

1,395

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Theoretical and Computational Chemistry

Working Paper

A Deep Learning Based Scaffold Hopping Strategy for the Design of Kinase Inhibitors

Lizhao Hu, Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen

361

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Theoretical and Computational Chemistry

Working Paper

Graph Networks for Molecular Design

Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, Esben Jannik Bjerrum

1,731

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Theoretical and Computational Chemistry

Working Paper

Memory-Assisted Reinforcement Learning for Diverse Molecular De Novo Design

Thomas Blaschke, Ola Engkvist, Jürgen Bajorath, Hongming Chen

575

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Citations

Theoretical and Computational Chemistry

Working Paper

Practical Notes on Building Molecular Graph Generative Models

Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, Esben Jannik Bjerrum

627

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20 results in Hongming Chen in Authors: Hongming Chen

REINVENT 2.0 – an AI Tool for De Novo Drug Design

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A De Novo Molecular Generation Method Using Latent Vector Based Generative Adversarial Network

View abstract keyboard_arrow_down

De Novo Molecule Design Through Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites

View abstract keyboard_arrow_down

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

View abstract keyboard_arrow_down

Comparative Study of Deep Generative Models on Chemical Space Coverage (v18)

View abstract keyboard_arrow_down

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

View abstract keyboard_arrow_down

A Deep Learning Based Scaffold Hopping Strategy for the Design of Kinase Inhibitors

View abstract keyboard_arrow_down

Graph Networks for Molecular Design

View abstract keyboard_arrow_down

Memory-Assisted Reinforcement Learning for Diverse Molecular De Novo Design

View abstract keyboard_arrow_down

Practical Notes on Building Molecular Graph Generative Models

View abstract keyboard_arrow_down

20 results in Authors: Hongming Chen