Research Fellow
Publications
Concepts and Applications of Conformal Prediction in Computational Drug
Discovery
(2019)
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout
J Chem Inf Model
(2019)
59
3330
(doi: 10.1021/acs.jcim.9b00297)
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images
Journal of Cheminformatics
(2019)
11
41
(doi: 10.1186/s13321-019-0364-5)
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
Journal of Cheminformatics
(2019)
11
41
(doi: 10.1186/s13321-019-0364-5)
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery.
Bioinformatics
(2019)
35
4656
Detecting the mutational signature of homologous recombination deficiency in clinical samples
Nature Genetics
(2019)
51
912
(doi: 10.1038/s41588-019-0390-2)
Linked-read analysis identifies mutations in single-cell DNA-sequencing data.
Nature genetics
(2019)
51
749
(doi: 10.1038/s41588-019-0366-2)
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
Journal of Chemical Information and Modeling
(2018)
59
1269
(doi: 10.1021/acs.jcim.8b00542)
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening
Journal of chemical information and modeling
(2018)
58
2000
(doi: 10.1021/acs.jcim.8b00376)
Comprehensive Characterization of Cancer Driver Genes and Mutations
Cell
(2018)
174
1034
(doi: 10.1016/j.cell.2018.07.034)
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