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Data-Driven Drug Discovery and Molecular Informatics

Research Fellow

Publications

Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2019)
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout.
I Cortés-Ciriano, A Bender
– Journal of chemical information and modeling
(2019)
59,
3330
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
I Cortés-Ciriano, A Bender
– J Cheminform
(2019)
11,
41
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
I Cortés-Ciriano, A Bender
– Journal of cheminformatics
(2019)
11,
41
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery.
OP Watson, I Cortes-Ciriano, AR Taylor, JA Watson
– Bioinformatics
(2019)
35,
4656
Detecting the mutational signature of homologous recombination deficiency in clinical samples
DC Gulhan, JJ-K Lee, GEM Melloni, I Cortés-Ciriano, PJ Park
– Nature genetics
(2019)
51,
912
Linked-read analysis identifies mutations in single-cell DNA-sequencing data.
CL Bohrson, AR Barton, MA Lodato, RE Rodin, LJ Luquette, VV Viswanadham, DC Gulhan, I Cortés-Ciriano, MA Sherman, M Kwon, ME Coulter, A Galor, CA Walsh, PJ Park
– Nature genetics
(2019)
51,
749
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
I Cortés-Ciriano, A Bender
– Journal of chemical information and modeling
(2018)
59,
1269
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening
I Cortés-Ciriano, NC Firth, A Bender, O Watson
– J Chem Inf Model
(2018)
58,
2000
Comprehensive Characterization of Cancer Driver Genes and Mutations.
MH Bailey, C Tokheim, E Porta-Pardo, S Sengupta, D Bertrand, A Weerasinghe, A Colaprico, MC Wendl, J Kim, B Reardon, P Kwok-Shing Ng, KJ Jeong, S Cao, Z Wang, J Gao, Q Gao, F Wang, EM Liu, L Mularoni, C Rubio-Perez, N Nagarajan, I Cortés-Ciriano, DC Zhou, W-W Liang, JM Hess, VD Yellapantula, D Tamborero, A Gonzalez-Perez, C Suphavilai, JY Ko, E Khurana, PJ Park, EM Van Allen, H Liang, MC3 Working Group, Cancer Genome Atlas Research Network, MS Lawrence, A Godzik, N Lopez-Bigas, J Stuart, D Wheeler, G Getz, K Chen, AJ Lazar, GB Mills, R Karchin, L Ding
– Cell
(2018)
174,
1034
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