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Data-Driven Drug Discovery and Molecular Informatics

Dr Isidro Cortes Ciriano

Research Fellow

Publications

The Impact of Environmental and Endogenous Damage on Somatic Mutation Load in Human Skin Fibroblasts.
N Saini, SA Roberts, LJ Klimczak, K Chan, SA Grimm, S Dai, DC Fargo, JC Boyer, WK Kaufmann, JA Taylor, E Lee, I Cortes-Ciriano, PJ Park, SH Schurman, EP Malc, PA Mieczkowski, DA Gordenin
– PLoS Genet
(2016)
12,
e1006385
(doi: 10.1371/journal.pgen.1006385)
A molecular portrait of microsatellite instability across multiple cancers
I Cortes-Ciriano, S Lee, W-Y Park, T-M Kim, P J. Park
(2016)
079152
(doi: 10.1101/079152)
Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR
I Cortes-Ciriano
– Journal of chemical information and modeling
(2016)
56,
1576
(doi: 10.1021/acs.jcim.6b00136)
Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets
I Cortes-Ciriano
– Journal of Cheminformatics
(2016)
8,
13
(doi: 10.1186/s13321-016-0125-7)
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data.
CHG Allen, A Koutsoukas, I Cortés-Ciriano, DS Murrell, TE Malliavin, RC Glen, A Bender
– Toxicology research
(2016)
5,
883
(doi: 10.1039/c5tx00406c)
Current Trends in Drug Sensitivity Prediction
I Cortes-Ciriano, LH Mervin, A Bender
– CURRENT PHARMACEUTICAL DESIGN
(2016)
22,
6918
(doi: 10.1174/1381611811666161016154430)
Improved Chemical Structure–Activity Modeling Through Data Augmentation
I Cortes-Ciriano, A Bender
– Journal of chemical information and modeling
(2015)
55,
2682
(doi: 10.1021/acs.jcim.5b00570)
How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.
I Cortés-Ciriano, A Bender
– ChemMedChem
(2015)
11,
57
(doi: 10.1002/cmdc.201500424)
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
I Cortés-Ciriano, GJP van Westen, G Bouvier, M Nilges, JP Overington, A Bender, TE Malliavin
– Bioinformatics (Oxford, England)
(2015)
32,
85
(doi: 10.1093/bioinformatics/btv529)
Chemically Aware Model Builder (camb): An R package for property and bioactivity modelling of small molecules
DS Murrell, I Cortes-Ciriano, GJP van Westen, IP Stott, A Bender, TE Malliavin, RC Glen
– Journal of cheminformatics
(2015)
7,
45
(doi: 10.1186/s13321-015-0086-2)
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Study at Cambridge

About the University

Research at Cambridge