Research Fellow
Publications
A molecular portrait of microsatellite instability across multiple cancers
(2016)
079152
(doi: 10.1101/079152)
Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR
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
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
Toxicology research
(2016)
5
883
(doi: 10.1039/c5tx00406c)
Current Trends in Drug Sensitivity Prediction
CURRENT PHARMACEUTICAL DESIGN
(2016)
22
6918
Improved Chemical Structure-Activity Modeling Through Data Augmentation
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
ChemMedChem
(2015)
11
57
(doi: 10.1002/cmdc.201500424)
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel
Bioinformatics (Oxford, England)
(2015)
32
85
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules
Journal of cheminformatics
(2015)
7
45
(doi: 10.1186/s13321-015-0086-2)
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
Journal of chemical information and modeling
(2015)
55
1413
(doi: 10.1021/acs.jcim.5b00101)
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