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List of works by Denis Fourches

"In silico" design of new uranyl extractants based on phosphoryl-containing podands: QSPR studies, generation and screening of virtual combinatorial library, and experimental tests.

scientific article

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

scientific article (publication date: April 2016)

4D- quantitative structure-activity relationship modeling: making a comeback

scientific article published on 12 September 2019

Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors

scientific article published in February 2016

Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking study

scientific article

Adverse drug reactions triggered by the common HLA-B*57:01 variant: virtual screening of DrugBank using 3D molecular docking

scientific article published on 30 January 2018

Alarms about structural alerts

scientific article published on 28 June 2016

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

scientific article published on 27 December 2010

Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?

scientific article published on 05 July 2020

Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores

scientific article published in March 2006

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories

scientific article published on 4 May 2017

Chemical basis of interactions between engineered nanoparticles and biological systems

scientific article

Cheminformatics Analysis of Dynamic WNK-Inhibitor Interactions

scientific article published on 23 February 2018

Cheminformatics Analysis of Fluoroquinolones and Their Inhibition Potency Against Four Pathogens

scientific article published on 30 November 2020

Cheminformatics Modeling of Amine Solutions for Assessing their CO2 Absorption Properties

scientific article published on 7 March 2017

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species

scientific article published on January 2010

Cheminformatics approach to exploring and modeling trait-associated metabolite profiles

scientific article published on 24 June 2019

Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome

scientific article published on 24 October 2015

Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds

scientific article published on 12 November 2018

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features.

scientific article published on 11 March 2014

Clozapine-induced agranulocytosis is associated with rare HLA-DQB1 and HLA-B alleles

scientific article

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

scientific article

Comparison of applicability domains of QSAR models: application to the modelling of the environmental toxicity against Tetrahymena pyriformis

scientific article published in 2008

Comprehensive characterization of the Published Kinase Inhibitor Set

scientific article

Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles

scientific article

Computer-aided design of new metal binders

scientific article published in January 2008

Correction: QSAR without borders

scientific article published on 22 May 2020

Corrections to “Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library”

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

scientific article published on 26 August 2008

Curation of chemogenomics data

scientific article published in July 2015

Data set modelability by QSAR

scientific article

Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening

scientific article published on 23 January 2013

Drug Side Effect Profiles as Molecular Descriptors for Predictive Modeling of Target Bioactivity

scientific article

Expanding the scope of drug repurposing in pediatrics: the Children's Pharmacy Collaborative

scientific article

Exploring drug space with ChemMaps.com

scientific article published on 01 November 2018

Exploring quantitative nanostructure-activity relationships (QNAR) modeling as a tool for predicting biological effects of manufactured nanoparticles

scientific article published on March 2011

Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software.

scientific article published on 11 March 2014

Graph representation of molecular datasets: applications to dataset visualization and comparison using graph indices

scientific article published in 2009

HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data

scientific article

Hierarchical Quantitative Structure-Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity

scientific article published on 05 February 2020

Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions

scientific article published on 27 December 2012

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

scientific article published in September 2008

Identifying individual risk rare variants using protein structure-guided local tests (POINT)

In silico Predicted Glucose-1-phosphate Uridylyltransferase (GalU) Inhibitors Block a Key Pathway Required for Listeria Virulence

scientific article published on 8 March 2018

Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

scientific article published on 22 April 2020

Integrative chemical-biological read-across approach for chemical hazard classification

scientific article published on 5 August 2013

Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints ⬇️

scientific article published on 17 January 2015

Modeling liver-related adverse effects of drugs using knearest neighbor quantitative structure-activity relationship method

scientific article

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

scientific article

Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches

scientific article

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

scientific article

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

scientific article published on 3 January 2015

Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches

scientific article

QSAR Modeling and Prediction of Drug-Drug Interactions

scientific article published on 15 December 2015

QSAR modeling: where have you been? Where are you going to?

scientific article (publication date: 26 June 2014)

QSAR without borders

scientific article published on 01 May 2020

QSPR Modeling of the AmIII/EuIIISeparation Factor: How Far Can we Predict ?

scientific article published in March 2007

Quantitative nanostructure-activity relationship modeling

scientific article

SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning

scientific article published in 2021

Short communication: cheminformatics analysis to identify predictors of antiviral drug penetration into the female genital tract

scientific article

Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline

Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures

scientific article published in September 2005

Successful “In Silico” Design of New Efficient Uranyl Binders

scientific article published in June 2007

Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark

scientific article published on 18 December 2014

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis

scientific article published on 11 January 2018

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

scientific article

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

scientific article (publication date: 26 July 2010)

Tuning HERG out: antitarget QSAR models for drug development

scientific article

Using Graph Indices for the Analysis and Comparison of Chemical Datasets

scientific article published on 9 September 2013

Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis

scientific article published on 7 April 2017

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