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Journal of Chemical Information and Modeling
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October 14, 2025
TEMPL: A Template-Based Protein-Ligand Pose Prediction Baseline
Jozef Fülöp, Martin Šícho, Wim Dehaen
Bioorganic & Medicinal Chemistry
|
September 6, 2021
CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes
Wojciech Plonka, Conrad Stork, Martin Šícho, et al.
Journal of Chemical Information and Modeling
|
January 10, 2019
Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters
Conrad Stork, Ya Chen, Martin Šícho, et al.
Chemical Research in Toxicology
|
August 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, et al.
Journal of Chemical Information and Modeling
|
August 8, 2017
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
Martin Šícho, Christina de Bruyn Kops, Conrad Stork, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
February 5, 2024
The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge
Andrea Hunklinger, Peter Hartog, Martin Šícho, et al.
Chemmedchem
|
December 30, 2017
Hit Dexter: A Machine-Learning Model for the Prediction of Frequent Hitters
Conrad Stork, Johannes Wagner, Nils-Ole Friedrich, et al.
Frontiers in Chemistry
|
June 29, 2019
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism
Christina de Bruyn Kops, Conrad Stork, Martin Šícho, et al.
Bioinformatics (Oxford, England)
|
February 21, 2020
NERDD: a web portal providing access to in silico tools for drug discovery
Conrad Stork, Gerd Embruch, Martin Šícho, et al.
Journal of Chemical Information and Modeling
|
October 30, 2024
AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models
Andrius Bernatavicius, Martin Šícho, Antonius P A Janssen, et al.
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Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
October 14, 2025
TEMPL: A Template-Based Protein-Ligand Pose Prediction Baseline
Jozef Fülöp, Martin Šícho, Wim Dehaen
Bioorganic & Medicinal Chemistry
|
September 6, 2021
CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes
Wojciech Plonka, Conrad Stork, Martin Šícho, et al.
Journal of Chemical Information and Modeling
|
January 10, 2019
Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters
Conrad Stork, Ya Chen, Martin Šícho, et al.
Chemical Research in Toxicology
|
August 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, et al.
Journal of Chemical Information and Modeling
|
August 8, 2017
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
Martin Šícho, Christina de Bruyn Kops, Conrad Stork, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
February 5, 2024
The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge
Andrea Hunklinger, Peter Hartog, Martin Šícho, et al.
Chemmedchem
|
December 30, 2017
Hit Dexter: A Machine-Learning Model for the Prediction of Frequent Hitters
Conrad Stork, Johannes Wagner, Nils-Ole Friedrich, et al.
Frontiers in Chemistry
|
June 29, 2019
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism
Christina de Bruyn Kops, Conrad Stork, Martin Šícho, et al.
Bioinformatics (Oxford, England)
|
February 21, 2020
NERDD: a web portal providing access to in silico tools for drug discovery
Conrad Stork, Gerd Embruch, Martin Šícho, et al.
Journal of Chemical Information and Modeling
|
October 30, 2024
AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models
Andrius Bernatavicius, Martin Šícho, Antonius P A Janssen, et al.
Page
of 2