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Journal of Cheminformatics
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November 12, 2024
Comparative evaluation of methods for the prediction of protein-ligand binding sites
Javier S Utgés, Geoffrey J Barton
Journal of Cheminformatics
|
November 6, 2024
StreaMD: the toolkit for high-throughput molecular dynamics simulations
Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk
Journal of Cheminformatics
|
March 15, 2025
The specification game: rethinking the evaluation of drug response prediction for precision oncology
Francesco 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 generalization
Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, et al.
Journal of Cheminformatics
|
August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular design
Jiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Cheminformatics
|
July 25, 2024
Enhancing molecular property prediction with auxiliary learning and task-specific adaptation
Vishal Dey, Xia Ning
Journal of Cheminformatics
|
July 29, 2024
Hilbert-curve assisted structure embedding method
Gergely Zahoránszky-Kőhalmi, Kanny K Wan, Alexander G Godfrey
Journal of Cheminformatics
|
July 29, 2024
A computational workflow for analysis of missense mutations in precision oncology
Rayyan 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 space
Maarten 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 design
Niklas Dobberstein, Astrid Maass, Jan Hamaekers
Page
of 137
Search research articles
Search
Showing results (581-590 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
November 12, 2024
Comparative evaluation of methods for the prediction of protein-ligand binding sites
Javier S Utgés, Geoffrey J Barton
Journal of Cheminformatics
|
November 6, 2024
StreaMD: the toolkit for high-throughput molecular dynamics simulations
Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk
Journal of Cheminformatics
|
March 15, 2025
The specification game: rethinking the evaluation of drug response prediction for precision oncology
Francesco 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 generalization
Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, et al.
Journal of Cheminformatics
|
August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular design
Jiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Cheminformatics
|
July 25, 2024
Enhancing molecular property prediction with auxiliary learning and task-specific adaptation
Vishal Dey, Xia Ning
Journal of Cheminformatics
|
July 29, 2024
Hilbert-curve assisted structure embedding method
Gergely Zahoránszky-Kőhalmi, Kanny K Wan, Alexander G Godfrey
Journal of Cheminformatics
|
July 29, 2024
A computational workflow for analysis of missense mutations in precision oncology
Rayyan 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 space
Maarten 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 design
Niklas Dobberstein, Astrid Maass, Jan Hamaekers
Page
of 137