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

por Cortes-Ciriano, Isidro
Publicado 2016

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

por Cortés-Ciriano, Isidro, Bender, Andreas
Publicado 2019

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

por Bender, Andreas, Cortes-Ciriano, Isidro
Publicado 2021

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

por Watson, Oliver, Cortes-Ciriano, Isidro, Watson, James A
Publicado 2020

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

por Cortés-Ciriano, Isidro, Škuta, Ctibor, Bender, Andreas, Svozil, Daniel
Publicado 2020

Experimental validation of in silico target predictions on synergistic protein targets

por Cortes-Ciriano, Isidro, Koutsoukas, Alexios, Abian, Olga, Bender, Andreas, Velazquez-Campoy, Adrian
Publicado 2013

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

por Watson, Oliver P, Cortes-Ciriano, Isidro, Taylor, Aimee R, Watson, James A
Publicado 2019

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

por Paricharak, Shardul, Cortés-Ciriano, Isidro, IJzerman, Adriaan P, Malliavin, Thérèse E, Bender, Andreas
Publicado 2015

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

por Cortes-Ciriano, Isidro, Murrell, Daniel S, van Westen, Gerard JP, Bender, Andreas, Malliavin, Thérèse E
Publicado 2015

A molecular portrait of microsatellite instability across multiple cancers

por Cortes-Ciriano, Isidro, Lee, Sejoon, Park, Woong-Yang, Kim, Tae-Min, Park, Peter J.
Publicado 2017

Proteochemometric modeling in a Bayesian framework

por Cortes-Ciriano, Isidro, van Westen, Gerard JP, Lenselink, Eelke Bart, Murrell, Daniel S, Bender, Andreas, Malliavin, Thérèse
Publicado 2014

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

por Cortes-Ciriano, Isidro, van Westen, Gerard JP, Murrell, Daniel S, Lenselink, Eelke B, Bender, Andreas, Malliavin, Therese E
Publicado 2015

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

por Harigua-Souiai, Emna, Cortes-Ciriano, Isidro, Desdouits, Nathan, Malliavin, Thérèse E, Guizani, Ikram, Nilges, Michael, Blondel, Arnaud, Bouvier, Guillaume
Publicado 2015

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

por Allen, Chad H. G., Koutsoukas, Alexios, Cortés-Ciriano, Isidro, Murrell, Daniel S., Malliavin, Thérèse E., Glen, Robert C., Bender, Andreas
Publicado 2016

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

por Cortés-Ciriano, Isidro, van Westen, Gerard J. P., Bouvier, Guillaume, Nilges, Michael, Overington, John P., Bender, Andreas, Malliavin, Thérèse E.
Publicado 2016

Multifocal osteoclast-rich tumour in Paget bone disease and conventional giant cell tumour, two genetically distinct entities? Sequencing from a single case

por Haefliger, Simon, Bubbear, Judith, Davies, Christropher, Cottone, Lucia, Amary, Fernanda, Tirabosco, Roberto, Cortes-Ciriano, Isidro, O’Donnell, Paul, Flanagan, Adrienne M
Publicado 2023

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

por Murrell, Daniel S, Cortes-Ciriano, Isidro, van Westen, Gerard J P, Stott, Ian P, Bender, Andreas, Malliavin, Thérèse E, Glen, Robert C
Publicado 2015

Non-homologous end joining shapes the genomic rearrangement landscape of chromothripsis from mitotic errors

por Hu, Qing, Valle-Inclan, Jose Espejo, Dahiya, Rashmi, Guyer, Alison, Mazzagatti, Alice, Maurais, Elizabeth G., Engel, Justin L., Cortés-Ciriano, Isidro, Ly, Peter
Publicado 2023

Patient-derived models of brain metastases recapitulate human disseminated disease

por Faria, Claudia C., Cascão, Rita, Custódia, Carlos, Paisana, Eunice, Carvalho, Tânia, Pereira, Pedro, Roque, Rafael, Pimentel, José, Miguéns, José, Cortes-Ciriano, Isidro, Barata, João T.
Publicado 2022

The landscape of human SVA retrotransposons

por Chu, Chong, Lin, Eric W, Tran, Antuan, Jin, Hu, Ho, Natalie I, Veit, Alexander, Cortes-Ciriano, Isidro, Burns, Kathleen H, Ting, David T, Park, Peter J
Publicado 2023