List of works - Isidro Cortés-Ciriano

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

scientific article published on 01 November 2019

A molecular portrait of microsatellite instability across multiple cancers

scientific article published on 06 June 2017

A user guide for the online exploration and visualization of PCAWG data

scientific article published on 07 July 2020

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

article

Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data

publication published on 27 January 2021

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

scientific article published on 24 September 2013

Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR.

scientific article published on 11 July 2016

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

scientific article (publication date: 2016)

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

scientific article (publication date: 2015)

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

scientific article

Comprehensive Characterization of Cancer Driver Genes and Mutations

scientific article published in April 2018

Comprehensive Characterization of Cancer Driver Genes and Mutations

article

Comprehensive analysis of chromothripsis in 2,658 human cancers using whole-genome sequencing

scientific article published on 05 February 2020

Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty

scientific article published on 10 May 2018

Current Trends in Drug Sensitivity Prediction

scientific article published on 26 October 2016

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

scientific article published on 30 October 2018

Detecting the mutational signature of homologous recombination deficiency in clinical samples

scientific article published on 15 April 2019

Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening

scientific article published on 10 September 2018

Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account

scientific article published on 01 September 2019

Experimental validation of in silico target predictions on synergistic protein targets.

scientific article

Genomic footprints of activated telomere maintenance mechanisms in cancer

scientific article published on 05 February 2020

Genomics of MPNST (GeM) Consortium: Rationale and Study Design for Multi-Omic Characterization of NF1-Associated and Sporadic MPNSTs

scientific article published on 02 April 2020

How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements

scientific article

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

scientific article published on 21 March 2015

Improved Chemical Structure-Activity Modeling Through Data Augmentation.

scientific article

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

scientific article

Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data

scientific article published on 03 March 2016

Intersection of diverse neuronal genomes and neuropsychiatric disease: The Brain Somatic Mosaicism Network

scientific article

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

scientific article published on 19 June 2019

Linked-read analysis identifies mutations in single-cell DNA-sequencing data

scientific article published on 18 March 2019

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features

scientific article published in November 2014

Perspective on Oncogenic Processes at the End of the Beginning of Cancer Genomics

scientific article published in April 2018

Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction

scientific article published on 20 March 2015

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

scientific article

Proteochemometric modeling in a Bayesian framework

scientific article published on 28 June 2014

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

scientific article (publication date: 2015)

Publisher Correction: Comprehensive analysis of chromothripsis in 2,658 human cancers using whole-genome sequencing

scientific article published on 13 May 2020

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

scientific article published on 29 May 2020

Reconstructing the Lineage Histories and Differentiation Trajectories of Individual Cancer Cells in Myeloproliferative Neoplasms

publication published on 22 February 2021

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

scientific article published on 26 June 2019

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

scientific article published on 3 June 2015

The impact of environmental and endogenous damage on somatic mutation load in human skin fibroblasts

journal article published in 2016

List of works by Isidro Cortés-Ciriano

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

A molecular portrait of microsatellite instability across multiple cancers

A user guide for the online exploration and visualization of PCAWG data

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

Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data

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

Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR.

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

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

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

Comprehensive Characterization of Cancer Driver Genes and Mutations

Comprehensive Characterization of Cancer Driver Genes and Mutations

Comprehensive analysis of chromothripsis in 2,658 human cancers using whole-genome sequencing

Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty

Current Trends in Drug Sensitivity Prediction

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

Detecting the mutational signature of homologous recombination deficiency in clinical samples

Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening

Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account

Experimental validation of in silico target predictions on synergistic protein targets.

Genomic footprints of activated telomere maintenance mechanisms in cancer

Genomics of MPNST (GeM) Consortium: Rationale and Study Design for Multi-Omic Characterization of NF1-Associated and Sporadic MPNSTs

How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements

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

Improved Chemical Structure-Activity Modeling Through Data Augmentation.

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

Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data

Intersection of diverse neuronal genomes and neuropsychiatric disease: The Brain Somatic Mosaicism Network

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

Linked-read analysis identifies mutations in single-cell DNA-sequencing data

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features

Perspective on Oncogenic Processes at the End of the Beginning of Cancer Genomics

Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction

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

Proteochemometric modeling in a Bayesian framework

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

Publisher Correction: Comprehensive analysis of chromothripsis in 2,658 human cancers using whole-genome sequencing

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

Reconstructing the Lineage Histories and Differentiation Trajectories of Individual Cancer Cells in Myeloproliferative Neoplasms

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

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

The impact of environmental and endogenous damage on somatic mutation load in human skin fibroblasts