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Journal of cheminformatics

Showing results (581-590 of 1,363) with videos related to

Pageof 137
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Journal of Cheminformatics|November 12, 2024
Comparative evaluation of methods for the prediction of protein-ligand binding sitesJavier S Utgés, Geoffrey J Barton
Journal of Cheminformatics|November 6, 2024
StreaMD: the toolkit for high-throughput molecular dynamics simulationsAleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk
Journal of Cheminformatics|March 15, 2025
The specification game: rethinking the evaluation of drug response prediction for precision oncologyFrancesco Codicè, Corrado Pancotti, Cesare Rollo, et al.
Journal of Cheminformatics|October 24, 2024
Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalizationMiguel García-Ortegón, Srijit Seal, Carl Rasmussen, et al.
Journal of Cheminformatics|August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular designJiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Cheminformatics|July 25, 2024
Enhancing molecular property prediction with auxiliary learning and task-specific adaptationVishal Dey, Xia Ning
Journal of Cheminformatics|July 29, 2024
Hilbert-curve assisted structure embedding methodGergely Zahoránszky-Kőhalmi, Kanny K Wan, Alexander G Godfrey
Journal of Cheminformatics|July 29, 2024
A computational workflow for analysis of missense mutations in precision oncologyRayyan Tariq Khan, Petra Pokorna, Jan Stourac, et al.
Journal of Cheminformatics|August 13, 2024
Geometric deep learning for molecular property predictions with chemical accuracy across chemical spaceMaarten R Dobbelaere, István Lengyel, Christian V Stevens, et al.
Journal of Cheminformatics|June 21, 2024
Llamol: a dynamic multi-conditional generative transformer for de novo molecular designNiklas Dobberstein, Astrid Maass, Jan Hamaekers
Pageof 137

Showing results (581-590 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|November 12, 2024
Comparative evaluation of methods for the prediction of protein-ligand binding sitesJavier S Utgés, Geoffrey J Barton
Journal of Cheminformatics|November 6, 2024
StreaMD: the toolkit for high-throughput molecular dynamics simulationsAleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk
Journal of Cheminformatics|March 15, 2025
The specification game: rethinking the evaluation of drug response prediction for precision oncologyFrancesco Codicè, Corrado Pancotti, Cesare Rollo, et al.
Journal of Cheminformatics|October 24, 2024
Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalizationMiguel García-Ortegón, Srijit Seal, Carl Rasmussen, et al.
Journal of Cheminformatics|August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular designJiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Cheminformatics|July 25, 2024
Enhancing molecular property prediction with auxiliary learning and task-specific adaptationVishal Dey, Xia Ning
Journal of Cheminformatics|July 29, 2024
Hilbert-curve assisted structure embedding methodGergely Zahoránszky-Kőhalmi, Kanny K Wan, Alexander G Godfrey
Journal of Cheminformatics|July 29, 2024
A computational workflow for analysis of missense mutations in precision oncologyRayyan Tariq Khan, Petra Pokorna, Jan Stourac, et al.
Journal of Cheminformatics|August 13, 2024
Geometric deep learning for molecular property predictions with chemical accuracy across chemical spaceMaarten R Dobbelaere, István Lengyel, Christian V Stevens, et al.
Journal of Cheminformatics|June 21, 2024
Llamol: a dynamic multi-conditional generative transformer for de novo molecular designNiklas Dobberstein, Astrid Maass, Jan Hamaekers
Pageof 137