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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

Version 1 posted 24 May 2021

889

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Biological and Medicinal Chemistry

Working Paper

Diff-Shape: A Novel Constrained Diffusion Model for Shape based De Novo Drug Design

Jie Lin, Mingyuan Xu, Hongming Chen

Version 1 posted 30 April 2024

856

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2

Citations

Theoretical and Computational Chemistry

Working Paper

3D Based Generative PROTAC Linker Design with Reinforcement Learning

baiqing li, Hongming Chen

Version 1 posted 23 May 2023

1,660

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1

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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

Version 1 posted 23 July 2020

742

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1

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Analytical Chemistry

Working Paper

Randomized SMILES Strings Improve the Quality of Molecular Generative Models

Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

Version 2 posted 30 July 2019

2,067

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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

Version 1 posted 30 December 2020

1,126

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2

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

Version 5 posted 22 May 2020

2,147

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Theoretical and Computational Chemistry

Working Paper

Comparison Between SMILES-Based Differential Neural Computer and Recurrent Neural Network Architectures for De Novo Molecule Design

Simon Viet Johansson, Oleksii Prykhodko, Josep Arús-Pous, Ola Engkvist, Hongming Chen

Version 1 posted 04 September 2019

1,060

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1

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

Version 3 posted 05 February 2021

2,117

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1

Citations

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

Version 1 posted 28 September 2020

1,460

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4

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Refine Search

26 results in Hongming Chen in Authors: Hongming Chen

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

Diff-Shape: A Novel Constrained Diffusion Model for Shape based De Novo Drug Design

3D Based Generative PROTAC Linker Design with Reinforcement Learning

Memory-Assisted Reinforcement Learning for Diverse Molecular De Novo Design

Randomized SMILES Strings Improve the Quality of Molecular Generative Models

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

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

Comparison Between SMILES-Based Differential Neural Computer and Recurrent Neural Network Architectures for De Novo Molecule Design

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

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

26 results in Authors: Hongming Chen