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
(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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