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International Journal of Molecular Sciences
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May 23, 2020
Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and Scope
Neann Mathai, Johannes Kirchmair
Molecular Informatics
|
July 30, 2020
Cheminformatics in Natural Product-based Drug Discovery
Ya Chen, Johannes Kirchmair
Chemical Biology & Drug Design
|
November 25, 2018
Computational methods and tools to predict cytochrome P450 metabolism for drug discovery
Jonathan D Tyzack, Johannes Kirchmair
Briefings in Bioinformatics
|
June 21, 2019
Validation strategies for target prediction methods
Neann Mathai, Ya Chen, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
May 6, 2020
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands
Ya Chen, Neann Mathai, Johannes Kirchmair
Chemmedchem
|
July 18, 2024
Relevance and Potential Applications of C2-Carboxylated 1,3-Azoles
Kerrin Janssen, Johannes Kirchmair, Jonny Proppe
International Journal of Molecular Sciences
|
August 7, 2021
BonMOLière: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space
Neann Mathai, Conrad Stork, Johannes Kirchmair
Critical Reviews in Toxicology
|
November 30, 2018
Computational approaches for skin sensitization prediction
Anke Wilm, Jochen Kühnl, Johannes Kirchmair
International Journal of Molecular Sciences
|
July 27, 2022
Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D Approaches
Ningning Fan, Steffen Hirte, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
May 13, 2024
Quantifying the Hardness of Bioactivity Prediction Tasks for Transfer Learning
Hosein Fooladi, Steffen Hirte, Johannes Kirchmair
Page
of 14
Search research articles
Search
Showing results (1-10 of 138) with videos related to
Sort By:
Page
of 14
International Journal of Molecular Sciences
|
May 23, 2020
Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and Scope
Neann Mathai, Johannes Kirchmair
Molecular Informatics
|
July 30, 2020
Cheminformatics in Natural Product-based Drug Discovery
Ya Chen, Johannes Kirchmair
Chemical Biology & Drug Design
|
November 25, 2018
Computational methods and tools to predict cytochrome P450 metabolism for drug discovery
Jonathan D Tyzack, Johannes Kirchmair
Briefings in Bioinformatics
|
June 21, 2019
Validation strategies for target prediction methods
Neann Mathai, Ya Chen, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
May 6, 2020
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands
Ya Chen, Neann Mathai, Johannes Kirchmair
Chemmedchem
|
July 18, 2024
Relevance and Potential Applications of C2-Carboxylated 1,3-Azoles
Kerrin Janssen, Johannes Kirchmair, Jonny Proppe
International Journal of Molecular Sciences
|
August 7, 2021
BonMOLière: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space
Neann Mathai, Conrad Stork, Johannes Kirchmair
Critical Reviews in Toxicology
|
November 30, 2018
Computational approaches for skin sensitization prediction
Anke Wilm, Jochen Kühnl, Johannes Kirchmair
International Journal of Molecular Sciences
|
July 27, 2022
Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D Approaches
Ningning Fan, Steffen Hirte, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
May 13, 2024
Quantifying the Hardness of Bioactivity Prediction Tasks for Transfer Learning
Hosein Fooladi, Steffen Hirte, Johannes Kirchmair
Page
of 14