Christina de Bruyn Kops

10PUBLICATIONS
17CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsBioinformatic methods developmentElectrical energy generation (incl. renewables, excl. photovoltaics)Computational chemistry
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Publications (10)

|Dec 09, 2020
Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules.

Anke Wilm, Ulf Norinder, M Isabel Agea

|Aug 14, 2020
GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics.

Christina de Bruyn Kops, Martin Šícho, Angelica Mazzolari

|Oct 31, 2019
ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance.

Ningning Fan, Christoph A Bauer, Conrad Stork

|Jul 31, 2019
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.

Martin Šícho, Conrad Stork, Angelica Mazzolari

|Dec 30, 2017
Hit Dexter: A Machine-Learning Model for the Prediction of Frequent Hitters.

Conrad Stork, Johannes Wagner, Nils-Ole Friedrich

|Oct 03, 2017
Benchmarking Commercial Conformer Ensemble Generators.

Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg

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Frequent Collaborators

10 joint publications

Johannes Kirchmair

5 joint publications

Conrad Stork

4 joint publications

Martin Šícho

3 joint publications

Nils-Ole Friedrich