
Postdoctoral research fellow working in the Bender group.
Publications
Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
Journal of medicinal chemistry
(2021)
65
562
(doi: 10.1021/acs.jmedchem.1c01735)
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.
Journal of cheminformatics
(2021)
13
77
(doi: 10.1186/s13321-021-00555-7)
Structural Insights into Notum Covalent Inhibition.
Journal of medicinal chemistry
(2021)
64
11354
(doi: 10.1021/acs.jmedchem.1c00701)
Deep Learning-Based Conformal Prediction of Toxicity
Journal of Chemical Information and Modeling
(2021)
61
2648
(doi: 10.1021/acs.jcim.1c00208)
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling
Journal of medicinal chemistry
(2021)
64
4289
(doi: 10.1021/acs.jmedchem.0c01974)
Assessing the Calibration in Toxicological in Vitro Models with Conformal Prediction
(2021)
(doi: 10.21203/rs.3.rs-220364/v1)
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports
Chemical Research in Toxicology
(2020)
34
365
Correction to “Using Predicted Bioactivity Profiles to Improve Predictive Modeling”
J Chem Inf Model
(2020)
60
6722
(doi: 10.1021/acs.jcim.0c01327)
5-Phenyl-1,3,4-oxadiazol-2(3H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
Journal of Medicinal Chemistry
(2020)
63
12942
(doi: 10.1021/acs.jmedchem.0c01391)
Changing the HTS Paradigm: AI-Driven Iterative Screening for Hit Finding
Slas Discovery
(2020)
26
257
(doi: 10.1177/2472555220949495)
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