Lista de obras -

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

artículo científico publicado en 2018

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

artículo científico publicado en 2018

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

artículo científico publicado en 2020

Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor

scientific article published on 04 March 2020

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.

artículo científico publicado en 2017

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

scientific article published on 10 January 2019

Computational insights into the different catalytic activities of CYP3A4 and CYP3A5 toward schisantherin E

scientific article published on 05 February 2019

Computational insights into the interaction mechanisms of estrogen-related receptor alpha with endogenous ligand cholesterol

artículo científico publicado en 2019

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark.

artículo científico publicado en 2017

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods.

artículo científico publicado en 2017

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

scientific article published on 11 March 2019

In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models

scientific article published on 28 January 2020

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

scientific article published on 25 January 2019

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

artículo científico publicado en 2020

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

scientific article published on 21 May 2018

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

scientific article published on 08 November 2018

Lista de obras de

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

Computational insights into the different catalytic activities of CYP3A4 and CYP3A5 toward schisantherin E

Computational insights into the interaction mechanisms of estrogen-related receptor alpha with endogenous ligand cholesterol

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark.

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods.

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods