Christina de Bruyn Kops

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 7

Top Topics

Ensemble Learning

Phase Unwrapping

Top Venues

J. Chem. Inf. Model.

Publications

Conrad Stork, Gerd Embruch, Martin Sícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair
NERDD: a web portal providing access to in silico tools for drug discovery. Bioinform. 36 (4) (2020)
Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J. Chem. Inf. Model. 59 (8) (2019)
Martin Sícho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity. J. Chem. Inf. Model. 57 (8) (2017)
Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair
Benchmarking Commercial Conformer Ensemble Generators. J. Chem. Inf. Model. 57 (11) (2017)
Christina de Bruyn Kops, Nils-Ole Friedrich, Johannes Kirchmair
Alignment-Based Prediction of Sites of Metabolism. J. Chem. Inf. Model. 57 (6) (2017)
Ya Chen, Christina de Bruyn Kops, Johannes Kirchmair
Data Resources for the Computer-Guided Discovery of Bioactive Natural Products. J. Chem. Inf. Model. 57 (9) (2017)
Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators. J. Chem. Inf. Model. 57 (3) (2017)