Isidro Cortes-Ciriano
Orcid: 0000-0002-2036-494X
According to our database1,
Isidro Cortes-Ciriano
authored at least 29 papers
between 2013 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
ReConPlot: an R package for the visualization and interpretation of genomic rearrangements.
Bioinform., December, 2023
2021
A semi-supervised learning framework for quantitative structure-activity regression modelling.
Bioinform., 2021
2020
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping.
J. Cheminformatics, 2020
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction.
J. Cheminformatics, 2020
2019
J. Chem. Inf. Model., 2019
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks.
J. Chem. Inf. Model., 2019
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
J. Cheminformatics, 2019
CoRR, 2019
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery.
Bioinform., 2019
2018
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty.
J. Chem. Inf. Model., 2018
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening.
J. Chem. Inf. Model., 2018
KekuleScope: improved prediction of cancer cell line sensitivity using convolutional neural networks trained on compound images.
CoRR, 2018
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Errors for Deep Neural Networks.
CoRR, 2018
2016
J. Chem. Inf. Model., 2016
Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets.
J. Cheminformatics, 2016
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
Bioinform., 2016
2015
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).
PhD thesis, 2015
J. Chem. Inf. Model., 2015
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.
J. Chem. Inf. Model., 2015
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.
J. Cheminformatics, 2015
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.
J. Cheminformatics, 2015
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.
J. Cheminformatics, 2015
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
BMC Bioinform., 2015
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling.
BMC Bioinform., 2015
2014
2013
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
J. Cheminformatics, 2013
Experimental validation of in silico target predictions on synergistic protein targets.
J. Cheminformatics, 2013