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Molecular de-novo design through deep reinforcement learning

Journal of cheminformatics, 2017-09, Vol.9 (1), p.48-14, Article 48

2017

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Application of Generative Autoencoder in De Novo Molecular Design

Molecular informatics, 2018-01, Vol.37 (1-2), p.n/a

2018

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Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph

Molecules (Basel, Switzerland), 2022-02, Vol.27 (3), p.1039

2022

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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Frontiers in pharmacology, 2020-12, Vol.11, p.565644-565644

2020

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Memory-assisted reinforcement learning for diverse molecular de novo design

Journal of cheminformatics, 2020-11, Vol.12 (1), p.68-68, Article 68

2020

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Constructing Molybdenum Phosphide@Cobalt Phosphide Heterostructure Nanoarrays on Nickel Foam as a Bifunctional Electrocatalyst for Enhanced Overall Water Splitting

Molecules (Basel, Switzerland), 2023-04, Vol.28 (9), p.3647

2023

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A de novo molecular generation method using latent vector based generative adversarial network

Journal of cheminformatics, 2019-12, Vol.11 (1), p.74-13, Article 74

2019

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Randomized SMILES strings improve the quality of molecular generative models

Journal of cheminformatics, 2019-11, Vol.11 (1), p.71-13, Article 71

2019

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Exploring the GDB-13 chemical space using deep generative models

Journal of cheminformatics, 2019-03, Vol.11 (1), p.20-14, Article 20

2019

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MraY-antibiotic complex reveals details of tunicamycin mode of action

Nature chemical biology, 2017-03, Vol.13 (3), p.265-267

2017

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SMILES-based deep generative scaffold decorator for de-novo drug design

Journal of cheminformatics, 2020-05, Vol.12 (1), p.38-38, Article 38

2020

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Beyond Size, Ionization State, and Lipophilicity: Influence of Molecular Topology on Absorption, Distribution, Metabolism, Excretion, and Toxicity for Druglike Compounds

Journal of medicinal chemistry, 2012-04, Vol.55 (8), p.3667-3677

2012

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Mucus-penetrating nanoparticles made with “mucoadhesive” poly(vinyl alcohol)

Nanomedicine, 2016-10, Vol.12 (7), p.1863-1871

2016

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EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency

Journal of cheminformatics, 2024-09, Vol.16 (1), p.107-15, Article 107

2024

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3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates

Molecules (Basel, Switzerland), 2022-12, Vol.28 (1), p.321

2022

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Combining data augmentation and deep learning for improved epilepsy detection

Frontiers in neurology, 2024-04, Vol.15, p.1378076-1378076

2024

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Can Generative-Model-Based Drug Design Become a New Normal in Drug Discovery?

Journal of medicinal chemistry, 2022-01, Vol.65 (1), p.100-102

Chen, Hongming

2022

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A Self‐Assembled Biocompatible Nanoplatform for Multimodal MR/Fluorescence Imaging Assisted Photothermal Therapy and Prognosis Analysis

Small (Weinheim an der Bergstrasse, Germany), 2018-08, Vol.14 (35), p.e1801612-n/a

2018

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The impact of blood lactic acid levels on retinopathy of prematurity morbidity

BMC pediatrics, 2024-02, Vol.24 (1), p.152-152, Article 152

2024

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Exercise Recommendation Model Based on Cognitive Level and Educational Big Data Mining

Journal of function spaces, 2022, Vol.2022, p.1-11

2022

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1,1′-Binaphthol annulated perylene diimides: Aggregation-induced emission enhancement and chirality inversion

Chinese chemical letters, 2022-05, Vol.33 (5), p.2473-2476

2022

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Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets

Journal of chemical information and modeling, 2017-07, Vol.57 (7), p.1591-1598

2017

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Deep scaffold hopping with multimodal transformer neural networks

Journal of cheminformatics, 2021-11, Vol.13 (1), p.87-87, Article 87

2021

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Coaxial Electrospinning of CoS1.097@C Core–Shell Fibers Anode Material for High-Performance Sodium-Ion Batteries

Metals (Basel ), 2024-03, Vol.14 (3), p.351

2024

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ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

Journal of cheminformatics, 2017-03, Vol.9 (1), p.17-17, Article 17

2017

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Molecular de-novo design through deep reinforcement learning

Application of Generative Autoencoder in De Novo Molecular Design

Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Memory-assisted reinforcement learning for diverse molecular de novo design

Constructing Molybdenum Phosphide@Cobalt Phosphide Heterostructure Nanoarrays on Nickel Foam as a Bifunctional Electrocatalyst for Enhanced Overall Water Splitting

A de novo molecular generation method using latent vector based generative adversarial network

Randomized SMILES strings improve the quality of molecular generative models

Exploring the GDB-13 chemical space using deep generative models

MraY-antibiotic complex reveals details of tunicamycin mode of action

SMILES-based deep generative scaffold decorator for de-novo drug design

Beyond Size, Ionization State, and Lipophilicity: Influence of Molecular Topology on Absorption, Distribution, Metabolism, Excretion, and Toxicity for Druglike Compounds

Mucus-penetrating nanoparticles made with “mucoadhesive” poly(vinyl alcohol)

EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency

3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates

Combining data augmentation and deep learning for improved epilepsy detection

Can Generative-Model-Based Drug Design Become a New Normal in Drug Discovery?

A Self‐Assembled Biocompatible Nanoplatform for Multimodal MR/Fluorescence Imaging Assisted Photothermal Therapy and Prognosis Analysis

The impact of blood lactic acid levels on retinopathy of prematurity morbidity

Exercise Recommendation Model Based on Cognitive Level and Educational Big Data Mining

1,1′-Binaphthol annulated perylene diimides: Aggregation-induced emission enhancement and chirality inversion

Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets

Deep scaffold hopping with multimodal transformer neural networks

Coaxial Electrospinning of CoS1.097@C Core–Shell Fibers Anode Material for High-Performance Sodium-Ion Batteries

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

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