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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

1,635

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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

1,579

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1

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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

1,898

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Theoretical and Computational Chemistry

Working Paper

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

Shuangjia Zheng, Zengrong Lei, Haitao Ai, Hongming Chen, Daiguo Deng, Yuedong Yang

1,175

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4

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Theoretical and Computational Chemistry

Working Paper

SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

1,953

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2

Citations

Theoretical and Computational Chemistry

Working Paper

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

4,772

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1

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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

847

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1

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Theoretical and Computational Chemistry

Working Paper

Application of Bioactivity Profile Based Fingerprints for Building Machine Learning Models

Noé Sturm, Jiangming Sun, Yves Vandriessche, Andreas Mayr, Günter Klambauer, Lars-Anders Carlson, Ola Engkvist, Hongming Chen

1,052

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1

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Theoretical and Computational Chemistry

Working Paper

Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph

Baiqing Li, Hongming Chen

336

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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

498

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21 results in Hongming Chen in Authors: Hongming Chen

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

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

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

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

REINVENT 2.0 – an AI Tool for De Novo Drug Design

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

Application of Bioactivity Profile Based Fingerprints for Building Machine Learning Models

Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph

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

21 results in Authors: Hongming Chen