List of works - Hongming Chen

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

scientific article

Application of Generative Autoencoder in de Novo Molecular Design

scientific article published on 13 December 2017

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

scientific article published on 19 June 2017

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

scientific article

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

scientific article published on 17 April 2012

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

scientific article

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

scientific article published on 11 April 2014

Combinatorial library design from reagent pharmacophore fingerprints

scientific article

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

scientific article

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

scientific article published on 14 June 2017

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

scientific article (publication date: 7 March 2017)

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

scientific article published on 24 December 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

scientific article

Investigation of the influence of molecular topology on ligand binding

scientific article published on 29 December 2012

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

scientific article published on 23 August 2017

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

scientific article published on 12 May 2014

Molecular de-novo design through deep reinforcement learning

scientific article published on 4 September 2017

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

scientific article published on 15 November 2010

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

scientific article published on 23 May 2017

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

scientific article published on 23 August 2013

ProSAR: a new methodology for combinatorial library design

scientific article

The rise of deep learning in drug discovery

scientific article published on 20 January 2018

List of works by 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