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Generative chemistry: drug discovery with deep learning generative models

Journal of molecular modeling, 2021-02, Vol.27 (3), p.71-71, Article 71

2021

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Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

The AAPS journal, 2018-03, Vol.20 (3), p.58-58, Article 58

2018

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Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications

The AAPS journal, 2018-04, Vol.20 (3), p.59-59, Article 59

2018

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Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries

Cells (Basel, Switzerland), 2022-03, Vol.11 (5), p.915

2022

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Integrated Multi-Class Classification and Prediction of GPCR Allosteric Modulators by Machine Learning Intelligence

Biomolecules (Basel, Switzerland), 2021-06, Vol.11 (6), p.870

2021

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Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

The AAPS journal, 2018-06, Vol.20 (4), p.79-79, Article 79

2018

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Target-driven machine learning-enabled virtual screening (TAME-VS) platform for early-stage hit identification

Frontiers in molecular biosciences, 2023-03, Vol.10, p.1163536-1163536

2023

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Effects of α‑Mangostin Derivatives on the Alzheimer’s Disease Model of Rats and Their Mechanism: A Combination of Experimental Study and Computational Systems Pharmacology Analysis

ACS omega, 2020-05, Vol.5 (17), p.9846-9863

2020

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Deep Convolutional Generative Adversarial Network (dcGAN) Models for Screening and Design of Small Molecules Targeting Cannabinoid Receptors

Molecular pharmaceutics, 2019-11, Vol.16 (11), p.4451-4460

2019

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Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery

European journal of medicinal chemistry, 2020-11, Vol.206, p.112690-112690, Article 112690

2020

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Prediction of Orthosteric and Allosteric Regulations on Cannabinoid Receptors Using Supervised Machine Learning Classifiers

Molecular pharmaceutics, 2019-06, Vol.16 (6), p.2605-2615

2019

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The Research and Development of an Artificial Intelligence Integrated Fragment-Based Drug Design Platform for Small Molecule Drug Discovery

Bian, Yuemin

2021

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Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5

The AAPS journal, 2017-07, Vol.19 (4), p.1235-1248

2017

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Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex

Nature (London), 2022-09, Vol.609 (7926), p.408-415

2022

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Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation

Journal of computer-aided molecular design, 2019-04, Vol.33 (4), p.447-459

2019

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Abstract B037: Hit-finding by Cysteine-Scanning (HCS): A method for finding druggable pockets

Molecular cancer research, 2023-05, Vol.21 (5_Supplement), p.B037-B037

2023

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Abstract LB029: Comprehensive structure-function evaluation of the SHOC2 holophosphatase reveals disease mechanisms and therapeutic opportunities

Cancer research (Chicago, Ill.), 2022-06, Vol.82 (12_Supplement), p.LB029-LB029

2022

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Artificial Intelligence Generative Chemistry Design of Target-Specific Scaffold-Focused Small Molecule Drug Libraries

The Quintessence of Basic and Clinical Research and Scientific Publishing, p.503-521

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Defects engineering simultaneously enhances activity and recyclability of MOFs in selective hydrogenation of biomass

Nature communications, 2022-04, Vol.13 (1), p.2068-2068, Article 2068

2022

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Zinc prevents mitochondrial superoxide generation by inducing mitophagy in the setting of hypoxia/reoxygenation in cardiac cells

Free radical research, 2018-01, Vol.52 (1), p.80-91

2018

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NLR-A Simple Indicator of Inflammation for the Diagnosis of Left Ventricular Hypertrophy in Patients with Hypertension

International Heart Journal, 2020/03/28, Vol.61(2), pp.373-379

2020

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A5003 Neutrophil and Lymphocyte Ratio—A Simple Immune Index for Left Ventricular Hypertrophy in Hypertensive Patients

Journal of hypertension, 2018-10, Vol.36 Suppl 3, p.e166-e166

2018

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SH-Alb inhibits phenotype remodeling of pro-fibrotic macrophage to attenuate liver fibrosis through SIRT3-SOD2 axis

Biomedicine & pharmacotherapy, 2024-07, Vol.176, p.116919, Article 116919

2024

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A4989 Induction of endoplasmic reticulum stress and variation in expression levels of Zip14 in hypertrophic rat heart

Journal of hypertension, 2018-10, Vol.36 Suppl 3, p.e39-e40

2018

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Prognostic Value of Plasma Galectin-3 Levels in Patients With Coronary Heart Disease and Chronic Heart Failure

International Heart Journal, 2015, Vol.56(3), pp.314-318

2015

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Generative chemistry: drug discovery with deep learning generative models

Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications

Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries

Integrated Multi-Class Classification and Prediction of GPCR Allosteric Modulators by Machine Learning Intelligence

Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Target-driven machine learning-enabled virtual screening (TAME-VS) platform for early-stage hit identification

Effects of α‑Mangostin Derivatives on the Alzheimer’s Disease Model of Rats and Their Mechanism: A Combination of Experimental Study and Computational Systems Pharmacology Analysis

Deep Convolutional Generative Adversarial Network (dcGAN) Models for Screening and Design of Small Molecules Targeting Cannabinoid Receptors

Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery

Prediction of Orthosteric and Allosteric Regulations on Cannabinoid Receptors Using Supervised Machine Learning Classifiers

The Research and Development of an Artificial Intelligence Integrated Fragment-Based Drug Design Platform for Small Molecule Drug Discovery

Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5

Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex

Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation

Abstract B037: Hit-finding by Cysteine-Scanning (HCS): A method for finding druggable pockets

Abstract LB029: Comprehensive structure-function evaluation of the SHOC2 holophosphatase reveals disease mechanisms and therapeutic opportunities

Artificial Intelligence Generative Chemistry Design of Target-Specific Scaffold-Focused Small Molecule Drug Libraries

Defects engineering simultaneously enhances activity and recyclability of MOFs in selective hydrogenation of biomass

Zinc prevents mitochondrial superoxide generation by inducing mitophagy in the setting of hypoxia/reoxygenation in cardiac cells

NLR-A Simple Indicator of Inflammation for the Diagnosis of Left Ventricular Hypertrophy in Patients with Hypertension

A5003 Neutrophil and Lymphocyte Ratio—A Simple Immune Index for Left Ventricular Hypertrophy in Hypertensive Patients

SH-Alb inhibits phenotype remodeling of pro-fibrotic macrophage to attenuate liver fibrosis through SIRT3-SOD2 axis

A4989 Induction of endoplasmic reticulum stress and variation in expression levels of Zip14 in hypertrophic rat heart

Prognostic Value of Plasma Galectin-3 Levels in Patients With Coronary Heart Disease and Chronic Heart Failure

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