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Journal of cheminformatics

Showing results (761-770 of 1,363) with videos related to

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Journal of Cheminformatics|April 8, 2025
HepatoToxicity Portal (HTP): an integrated database of drug-induced hepatotoxicity knowledgebase and graph neural network-based prediction modelJiyeon Han, Wonho Zhung, Insoo Jang, et al.
Journal of Cheminformatics|April 6, 2025
AI/ML methodologies and the future-will they be successful in designing the next generation of new chemical entities?Rachelle J Bienstock
Journal of Cheminformatics|December 9, 2024
Human-in-the-loop active learning for goal-oriented molecule generationYasmine Nahal, Janosch Menke, Julien Martinelli, et al.
Journal of Cheminformatics|November 27, 2024
Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literatureSarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Cheminformatics|November 28, 2024
cidalsDB: an AI-empowered platform for anti-pathogen therapeutics researchEmna Harigua-Souiai, Ons Masmoudi, Samer Makni, et al.
Journal of Cheminformatics|December 10, 2024
FlavorMiner: a machine learning platform for extracting molecular flavor profiles from structural dataFabio Herrera-Rocha, Miguel Fernández-Niño, Jorge Duitama, et al.
Journal of Cheminformatics|November 4, 2024
Searching chemical databases in the pre-history of cheminformaticsPeter Willett
Journal of Cheminformatics|November 7, 2024
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learningJue Wang, Yufan Liu, Boxue Tian
Journal of Cheminformatics|November 4, 2024
Accurate prediction of protein-ligand interactions by combining physical energy functions and graph-neural networksYiyu Hong, Junsu Ha, Jaemin Sim, et al.
Journal of Cheminformatics|March 5, 2025
CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liabilityGregory W Kyro, Matthew T Martin, Eric D Watt, et al.
Pageof 137

Showing results (761-770 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|April 8, 2025
HepatoToxicity Portal (HTP): an integrated database of drug-induced hepatotoxicity knowledgebase and graph neural network-based prediction modelJiyeon Han, Wonho Zhung, Insoo Jang, et al.
Journal of Cheminformatics|April 6, 2025
AI/ML methodologies and the future-will they be successful in designing the next generation of new chemical entities?Rachelle J Bienstock
Journal of Cheminformatics|December 9, 2024
Human-in-the-loop active learning for goal-oriented molecule generationYasmine Nahal, Janosch Menke, Julien Martinelli, et al.
Journal of Cheminformatics|November 27, 2024
Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literatureSarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Cheminformatics|November 28, 2024
cidalsDB: an AI-empowered platform for anti-pathogen therapeutics researchEmna Harigua-Souiai, Ons Masmoudi, Samer Makni, et al.
Journal of Cheminformatics|December 10, 2024
FlavorMiner: a machine learning platform for extracting molecular flavor profiles from structural dataFabio Herrera-Rocha, Miguel Fernández-Niño, Jorge Duitama, et al.
Journal of Cheminformatics|November 4, 2024
Searching chemical databases in the pre-history of cheminformaticsPeter Willett
Journal of Cheminformatics|November 7, 2024
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learningJue Wang, Yufan Liu, Boxue Tian
Journal of Cheminformatics|November 4, 2024
Accurate prediction of protein-ligand interactions by combining physical energy functions and graph-neural networksYiyu Hong, Junsu Ha, Jaemin Sim, et al.
Journal of Cheminformatics|March 5, 2025
CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liabilityGregory W Kyro, Matthew T Martin, Eric D Watt, et al.
Pageof 137