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19 results in Hongming Chen

Theoretical and Computational Chemistry

Memory-Assisted Reinforcement Learning for Diverse Molecular De Novo Design

Thomas Blaschke, Ola Engkvist, Jürgen Bajorath, Hongming Chen

536

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Theoretical and Computational Chemistry

Practical Notes on Building Molecular Graph Generative Models

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

559

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Theoretical and Computational Chemistry

Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold-hopping capability

Oliver Laufkötter, Noé Sturm, Jürgen Bajorath, Ola Engkvist, Hongming Chen

535

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Theoretical and Computational Chemistry

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

1,008

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Biological and Medicinal Chemistry

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

Mingyuan Xu, Ting Ran, Hongming Chen

644

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Theoretical and Computational Chemistry

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

1,812

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Theoretical and Computational Chemistry

Exploring the GDB-13 Chemical Space Using Deep Generative Models

Josep Arús-Pous, Thomas Blaschke, Silas Ulander, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

1,575

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Theoretical and Computational Chemistry

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

1,725

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Theoretical and Computational Chemistry

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

687

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Theoretical and Computational Chemistry

Graph Networks for Molecular Design

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

1,402

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19 results in Hongming Chen

Memory-Assisted Reinforcement Learning for Diverse Molecular De Novo Design

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Practical Notes on Building Molecular Graph Generative Models

View abstract keyboard_arrow_down

Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold-hopping capability

View abstract keyboard_arrow_down

Application of Bioactivity Profile Based Fingerprints for Building Machine Learning Models

View abstract keyboard_arrow_down

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

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

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Exploring the GDB-13 Chemical Space Using Deep Generative Models

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

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

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Graph Networks for Molecular Design

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