Isidro Cortes-Ciriano

发表

A user’s guide to the online resources for data exploration, visualization, and discovery for the Pan-Cancer Analysis of Whole Genomes project (PCAWG)

Mary Goldman, Junjun Zhang, Nuno A. Fonseca, 2019 .

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Guillaume Bouvier, 2015, Bioinform..

Applications of proteochemometrics (PCM) : from species extrapolation to cell-line sensitivity modelling. (Applications de proteochemometrics : à partir de l'extrapolation des espèces à la modélisation de la sensibilité de la lignée cellulaire)

Isidro Cortes-Ciriano, 2015 .

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, Journal of Cheminformatics.

KekuleScope: improved prediction of cancer cell line sensitivity using convolutional neural networks trained on compound images pdf

Isidro Cortes-Ciriano, Andreas Bender, 2018, ArXiv.

Experimental validation of in silico target predictions on synergistic protein targets

Isidro Cortes-Ciriano, Andreas Bender, Alexios Koutsoukas, 2013, Journal of Cheminformatics.

Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2019, J. Chem. Inf. Model..

Proteochemometric modeling in a Bayesian framework

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2014, Journal of Cheminformatics.

Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Errors for Deep Neural Networks

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2018, Journal of chemical information and modeling.

Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR

Isidro Cortes-Ciriano, I. Cortés-Ciriano, 2016, J. Chem. Inf. Model..

Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

Isidro Cortes-Ciriano, Guillaume Bouvier, Michael Nilges, 2015, BMC Bioinformatics.

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, Journal of Cheminformatics.

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, BMC Bioinformatics.

Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets

Isidro Cortes-Ciriano, I. Cortés-Ciriano, 2016, Journal of Cheminformatics.

Improved Chemical Structure-Activity Modeling Through Data Augmentation

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2015, J. Chem. Inf. Model..

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Adriaan P. IJzerman, 2015 .

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

Isidro Cortes-Ciriano, Gerard J. P. van Westen, John P. Overington, 2013, Journal of Cheminformatics.

Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules

Isidro Cortes-Ciriano, Therese E. Malliavin, Shardul Paricharak, 2015, Journal of Cheminformatics.

Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty

Ola Spjuth, Isidro Cortes-Ciriano, Lars Carlsson, 2018, J. Chem. Inf. Model..

A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery

Isidro Cortes-Ciriano, Aimee R Taylor, James A Watson, 2019, Bioinform..

Cancer Cell Line Profiler (CCLP): a webserver for the prediction of compound activity across the NCI60 panel

Isidro Cortes-Ciriano, Andreas Bender, Pedro J. Ballester, 2017 .

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets

Isidro Cortes-Ciriano, Therese E. Malliavin, Andreas Bender, 2015, J. Chem. Inf. Model..

A semi-supervised learning framework for quantitative structure–activity regression modelling

Isidro Cortes-Ciriano, James A Watson, Oliver P Watson, 2020, Bioinform..

A molecular portrait of microsatellite instability across multiple cancers

Isidro Cortes-Ciriano, Tae-Min Kim, Woong-Yang Park, 2016 .

The Impact of Environmental and Endogenous Damage on Somatic Mutation Load in Human Skin Fibroblasts

Isidro Cortes-Ciriano, Steven A Roberts, Eunjung Lee, 2016, PLoS genetics.

Cover Picture: How Consistent are Publicly Reported Cytotoxicity Data? Large‐Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements (ChemMedChem 1/2016)

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2016 .

Conformal Regression for QSAR Modelling – Quantifying Prediction Uncertainty

Ola Spjuth, Isidro Cortes-Ciriano, Lars Carlsson, 2018 .

Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information.

Isidro Cortes-Ciriano, Guillaume Bouvier, Michael Nilges, 2015, Journal of chemical theory and computation.

Genomic footprints of activated telomere maintenance mechanisms in cancer

Roland Eils, Isidro Cortes-Ciriano, Peter J. Park, 2017, bioRxiv.

Current Trends in Drug Sensitivity Prediction.

Isidro Cortes-Ciriano, Andreas Bender, Lewis H. Mervin, 2017, Current pharmaceutical design.