Postdoctoral research fellow working in the Bender group.
Publications
Emerging Patents in the Therapeutic Areas of Glioma and Glioblastoma.
– Expert Opinion on Therapeutic Patents
(2018)
Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty
– J Chem Inf Model
(2018)
58,
1132
(doi: 10.1021/acs.jcim.8b00054)
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases
– J Cheminform
(2017)
9,
67
(doi: 10.1186/s13321-017-0249-4)
Orthologue chemical space and its influence on target prediction.
– Bioinformatics (Oxford, England)
(2017)
34,
72
Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors.
– Journal of medicinal chemistry
(2017)
61,
1415
(doi: 10.1021/acs.jmedchem.7b00404)
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction.
– J Chem Inf Model
(2017)
57,
439
(doi: 10.1021/acs.jcim.6b00532)
Modelling compound cytotoxicity using conformal prediction and PubChem HTS data
– Toxicology research
(2017)
6,
73
(doi: 10.1039/c6tx00252h)
Virtual Screening for Transition State Analogue Inhibitors of IRAP Based on Quantum Mechanically Derived Reaction Coordinates.
– J Chem Inf Model
(2015)
55,
1984
(doi: 10.1021/acs.jcim.5b00359)
Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data
– Journal of chemical information and modeling
(2015)
55,
343
(doi: 10.1021/ci5005465)
Efficient and Selective Palladium‐Catalysed C‐3 Urea Couplings to 3,5‐Dichloro‐2(1H)‐pyrazinones
– European Journal of Organic Chemistry
(2015)
2015,
978
(doi: 10.1002/ejoc.201403405)
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