Conrad Stork

发表

ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance

Johannes Kirchmair, Ningning Fan, Christoph Alexander Bauer, 2019, Molecular informatics.

Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules.

Johannes Kirchmair, Jochen Kühnl, Conrad Stork, 2020, Chemical research in toxicology.

Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters

Johannes Kirchmair, Conrad Stork, Ya Chen, 2019, J. Chem. Inf. Model..

PAIN(S) relievers for medicinal chemists: how computational methods can assist in hit evaluation.

Johannes Kirchmair, Conrad Stork, 2018, Future medicinal chemistry.

NERDD: a web portal providing access to in silico tools for drug discovery

Daniel Svozil, Ya Chen, Johannes Kirchmair, 2019, Bioinform..

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

Daniel Svozil, Alessandro Pedretti, Johannes Kirchmair, 2019, J. Chem. Inf. Model..

Skin Doctor: Machine Learning Models for Skin Sensitization Prediction that Provide Estimates and Indicators of Prediction Reliability

Andreas Schepky, Johannes Kirchmair, Jochen Kühnl, 2019, International journal of molecular sciences.

Hit Dexter: A Machine‐Learning Model for the Prediction of Frequent Hitters

Nils-Ole Friedrich, Johannes Kirchmair, Johannes Wagner, 2018, ChemMedChem.

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

Daniel Svozil, Nina Jeliazkova, Johannes Kirchmair, 2019, Front. Chem..

NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules

Johannes Kirchmair, Steffen Hirte, Conrad Stork, 2019, Biomolecules.

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity

Daniel Svozil, Johannes Kirchmair, Conrad Stork, 2017, J. Chem. Inf. Model..

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Tilmann Weber, José L. Medina-Franco, Justin J. J. van der Hooft, 2021, Journal of Cheminformatics.

Computational prediction of frequent hitters in target-based and cell-based assays

Johannes Kirchmair, Conrad Stork, Neann Mathai, 2021 .