
Postdoctoral research fellow working in the Bender group.
Publications
Screening of a Custom-Designed Acid Fragment Library Identifies 1‑Phenylpyrroles and 1‑Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity
– Journal of Medicinal Chemistry
(2020)
63,
9464
(doi: 10.1021/acs.jmedchem.0c00660)
Systematic analysis of protein targets associated with adverse events of drugs from clinical trials and post-marketing reports
(2020)
2020.06.12.135939
(doi: 10.1101/2020.06.12.135939)
Using Predicted Bioactivity Profiles to Improve Predictive Modeling
– Journal of chemical information and modeling
(2020)
60,
2830
(doi: 10.1021/acs.jcim.0c00250)
Computational Chemistry on a Budget: Supporting Drug Discovery with Limited Resources
– J Med Chem
(2020)
63,
10158
(doi: 10.1021/acs.jmedchem.9b02126)
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity–Application to the Tox21 and Mutagenicity Data Sets
– J Chem Inf Model
(2019)
59,
4150
(doi: 10.1021/acs.jcim.9b00633)
Understanding Conditional Associations between ToxCast in Vitro Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods.
– Chemical Research in Toxicology
(2019)
33,
137
Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction
– Journal of chemical information and modeling
(2019)
59,
1598
(doi: 10.1021/acs.jcim.9b00027)
Maximizing gain in high-throughput screening using conformal prediction
– J Cheminform
(2018)
10,
7
(doi: 10.1186/s13321-018-0260-4)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity.
– Chemical research in toxicology
(2018)
31,
1119
GBM Drug Bank-a new resource for glioblastoma drug discovery and informatics research
– Neuro Oncol
(2018)
20,
1680
(doi: 10.1093/neuonc/noy122)
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