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Journal of cheminformatics

Showing results (281-290 of 1,439) with videos related to

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Journal of Cheminformatics|January 29, 2025
AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonistRahul Brahma, Sunghyun Moon, Jae-Min Shin, et al.
Journal of Cheminformatics|January 20, 2025
Matched pairs demonstrate robustness against inter-assay variabilityJochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, et al.
Journal of Cheminformatics|January 22, 2025
StreamChol: a web-based application for predicting cholestasisPablo Rodríguez-Belenguer, Emilio Soria-Olivas, Manuel Pastor
Journal of Cheminformatics|January 8, 2025
CLAIRE: a contrastive learning-based predictor for EC number of chemical reactionsZishuo Zeng, Jin Guo, Jiao Jin, et al.
Journal of Cheminformatics|January 15, 2025
Context-dependent similarity analysis of analogue series for structure-activity relationship transfer based on a concept from natural language processingAtsushi Yoshimori, Jürgen Bajorath
Journal of Cheminformatics|January 10, 2025
ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability predictionDong Wang, Jieyu Jin, Guqin Shi, et al.
Journal of Cheminformatics|January 23, 2025
The algebraic extended atom-type graph-based model for precise ligand-receptor binding affinity predictionFarjana Tasnim Mukta, Md Masud Rana, Avery Meyer, et al.
Journal of Cheminformatics|March 2, 2025
Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templatesXiaodan Yin, Xiaorui Wang, Zhenxing Wu, et al.
Journal of Cheminformatics|December 9, 2024
Be aware of overfitting by hyperparameter optimization!Igor V Tetko, Ruud van Deursen, Guillaume Godin
Journal of Cheminformatics|September 3, 2024
EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistencyZhiguang Fan, Yuedong Yang, Mingyuan Xu, et al.
Pageof 144

Showing results (281-290 of 1,439) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|January 29, 2025
AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonistRahul Brahma, Sunghyun Moon, Jae-Min Shin, et al.
Journal of Cheminformatics|January 20, 2025
Matched pairs demonstrate robustness against inter-assay variabilityJochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, et al.
Journal of Cheminformatics|January 22, 2025
StreamChol: a web-based application for predicting cholestasisPablo Rodríguez-Belenguer, Emilio Soria-Olivas, Manuel Pastor
Journal of Cheminformatics|January 8, 2025
CLAIRE: a contrastive learning-based predictor for EC number of chemical reactionsZishuo Zeng, Jin Guo, Jiao Jin, et al.
Journal of Cheminformatics|January 15, 2025
Context-dependent similarity analysis of analogue series for structure-activity relationship transfer based on a concept from natural language processingAtsushi Yoshimori, Jürgen Bajorath
Journal of Cheminformatics|January 10, 2025
ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability predictionDong Wang, Jieyu Jin, Guqin Shi, et al.
Journal of Cheminformatics|January 23, 2025
The algebraic extended atom-type graph-based model for precise ligand-receptor binding affinity predictionFarjana Tasnim Mukta, Md Masud Rana, Avery Meyer, et al.
Journal of Cheminformatics|March 2, 2025
Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templatesXiaodan Yin, Xiaorui Wang, Zhenxing Wu, et al.
Journal of Cheminformatics|December 9, 2024
Be aware of overfitting by hyperparameter optimization!Igor V Tetko, Ruud van Deursen, Guillaume Godin
Journal of Cheminformatics|September 3, 2024
EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistencyZhiguang Fan, Yuedong Yang, Mingyuan Xu, et al.
Pageof 144