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Neann Mathai

Showing results (1-10 of 9) with videos related to

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International Journal of Molecular Sciences|May 23, 2020
Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and ScopeNeann Mathai, Johannes Kirchmair
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 SpaceNeann Mathai, Conrad Stork, Johannes Kirchmair
Briefings in Bioinformatics|June 21, 2019
Validation strategies for target prediction methodsNeann 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 LigandsYa Chen, Neann Mathai, Johannes Kirchmair
Toxicology Letters|April 15, 2023
Toxicity prediction using target, interactome, and pathway profiles as descriptorsBarbara Füzi, Neann Mathai, Johannes Kirchmair, et al.
Pharmaceuticals (Basel, Switzerland)|August 28, 2021
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful DescriptorsAnke Wilm, Marina Garcia de Lomana, Conrad Stork, et al.
ACS Omega|October 6, 2025
New Machine Learning Models for Predicting the Organic Cation Transporters OCT1, OCT2, and OCT3 UptakeGiovanni Bocci, Neann Mathai, Benjamin Suutari, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 30, 2019
Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding siteJiri Wald, Marion Pasin, Martina Richter, et al.
Journal of Cheminformatics|September 7, 2021
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshopFidele Ntie-Kang, Kiran K Telukunta, Serge A T Fobofou, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
International Journal of Molecular Sciences|May 23, 2020
Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and ScopeNeann Mathai, Johannes Kirchmair
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 SpaceNeann Mathai, Conrad Stork, Johannes Kirchmair
Briefings in Bioinformatics|June 21, 2019
Validation strategies for target prediction methodsNeann 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 LigandsYa Chen, Neann Mathai, Johannes Kirchmair
Toxicology Letters|April 15, 2023
Toxicity prediction using target, interactome, and pathway profiles as descriptorsBarbara Füzi, Neann Mathai, Johannes Kirchmair, et al.
Pharmaceuticals (Basel, Switzerland)|August 28, 2021
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful DescriptorsAnke Wilm, Marina Garcia de Lomana, Conrad Stork, et al.
ACS Omega|October 6, 2025
New Machine Learning Models for Predicting the Organic Cation Transporters OCT1, OCT2, and OCT3 UptakeGiovanni Bocci, Neann Mathai, Benjamin Suutari, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 30, 2019
Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding siteJiri Wald, Marion Pasin, Martina Richter, et al.
Journal of Cheminformatics|September 7, 2021
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshopFidele Ntie-Kang, Kiran K Telukunta, Serge A T Fobofou, et al.
Pageof 1