Lista de obras - Hongming Chen - Dominio Público Uruguay

An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like Compounds

artículo científico publicado en 2012

Application of Generative Autoencoder in de Novo Molecular Design

artículo científico publicado en 2017

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

artículo científico publicado en 2017

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

artículo científico publicado en 2016

Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds

artículo científico publicado en 2012

Beyond the scope of Free-Wilson analysis: building interpretable QSAR models with machine learning algorithms

artículo científico publicado en 2013

Beyond the scope of free-Wilson analysis. 2: Can distance encoded R-group fingerprints provide interpretable nonlinear models?

artículo científico publicado en 2014

Combinatorial library design from reagent pharmacophore fingerprints

artículo científico publicado en 2011

Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2017

Exploring in silico prediction of the unbound brain-to-plasma drug concentration ratio: model validation, renewal, and interpretation

artículo científico publicado en 2014

Exploring the GDB-13 chemical space using deep generative models

article by Josep Arús-Pous et al published 12 March 2019 in Journal of Cheminformatics

In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms

artículo científico publicado en 2011

Investigation of the influence of molecular topology on ligand binding

artículo científico publicado en 2012

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

artículo científico publicado en 2017

Mining Molecular Pharmacological Effects from Biomedical Text: a Case Study for Eliciting Anti-Obesity/Diabetes Effects of Chemical Compounds

artículo científico publicado en 2014

Molecular de-novo design through deep reinforcement learning

artículo científico publicado en 2017

Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules

artículo científico publicado en 2010

On the Integration of In Silico Drug Design Methods for Drug Repurposing

artículo científico

On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

artículo científico publicado en 2013

ProSAR: a new methodology for combinatorial library design

artículo científico publicado en 2009

The rise of deep learning in drug discovery

artículo científico publicado en 2018

Lista de obras de Hongming Chen

An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like Compounds

Application of Generative Autoencoder in de Novo Molecular Design

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

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds

Beyond the scope of Free-Wilson analysis: building interpretable QSAR models with machine learning algorithms

Beyond the scope of free-Wilson analysis. 2: Can distance encoded R-group fingerprints provide interpretable nonlinear models?

Combinatorial library design from reagent pharmacophore fingerprints

Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?

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

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

Exploring in silico prediction of the unbound brain-to-plasma drug concentration ratio: model validation, renewal, and interpretation

Exploring the GDB-13 chemical space using deep generative models

In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms

Investigation of the influence of molecular topology on ligand binding

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

Mining Molecular Pharmacological Effects from Biomedical Text: a Case Study for Eliciting Anti-Obesity/Diabetes Effects of Chemical Compounds

Molecular de-novo design through deep reinforcement learning

Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules

On the Integration of In Silico Drug Design Methods for Drug Repurposing

On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

ProSAR: a new methodology for combinatorial library design

The rise of deep learning in drug discovery