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Journal of Cheminformatics
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November 11, 2025
C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification
Roy Aerts, Joris Tavernier, Alan Kerstjens, et al.
Journal of Cheminformatics
|
October 31, 2025
Efficient decoy selection to improve virtual screening using machine learning models
Felipe Victoria-Muñoz, Janosch Menke, Norberto Sanchez-Cruz, et al.
Journal of Cheminformatics
|
October 30, 2025
Enhancing molecular property prediction through data integration and consistency assessment
Raquel Parrondo-Pizarro, Luca Menestrina, Ricard Garcia-Serna, et al.
Journal of Cheminformatics
|
July 14, 2025
Application of the digital annealer unit in optimizing chemical reaction conditions for enhanced production yields
Shih-Cheng Li, Pei-Hua Wang, Jheng-Wei Su, et al.
Journal of Cheminformatics
|
October 15, 2025
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models
Ludovica Bono, Filippo Lunghini, Emanuela Sabato, et al.
Journal of Cheminformatics
|
May 14, 2025
Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction
Sumin Ha, Dongmin Bang, Sun Kim
Journal of Cheminformatics
|
May 13, 2025
Generalizable, fast, and accurate DeepQSPR with fastprop
Jackson W Burns, William H Green
Journal of Cheminformatics
|
July 11, 2025
GPCR-A17 MAAP: mapping modulators, agonists, and antagonists to predict the next bioactive target
Ana B Caniceiro, Ana M B Amorim, Nícia Rosário-Ferreira, et al.
Journal of Cheminformatics
|
July 24, 2025
mineMS2: annotation of spectral libraries with exact fragmentation patterns
Alexis Delabrière, Coline Gianfrotta, Sylvain Dechaumet, et al.
Journal of Cheminformatics
|
August 5, 2025
Neural SHAKE: geometric constraints in neural differential equations
Justin S Diamond, Markus A Lill
Page
of 137
Search research articles
Search
Showing results (951-960 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
November 11, 2025
C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification
Roy Aerts, Joris Tavernier, Alan Kerstjens, et al.
Journal of Cheminformatics
|
October 31, 2025
Efficient decoy selection to improve virtual screening using machine learning models
Felipe Victoria-Muñoz, Janosch Menke, Norberto Sanchez-Cruz, et al.
Journal of Cheminformatics
|
October 30, 2025
Enhancing molecular property prediction through data integration and consistency assessment
Raquel Parrondo-Pizarro, Luca Menestrina, Ricard Garcia-Serna, et al.
Journal of Cheminformatics
|
July 14, 2025
Application of the digital annealer unit in optimizing chemical reaction conditions for enhanced production yields
Shih-Cheng Li, Pei-Hua Wang, Jheng-Wei Su, et al.
Journal of Cheminformatics
|
October 15, 2025
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models
Ludovica Bono, Filippo Lunghini, Emanuela Sabato, et al.
Journal of Cheminformatics
|
May 14, 2025
Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction
Sumin Ha, Dongmin Bang, Sun Kim
Journal of Cheminformatics
|
May 13, 2025
Generalizable, fast, and accurate DeepQSPR with fastprop
Jackson W Burns, William H Green
Journal of Cheminformatics
|
July 11, 2025
GPCR-A17 MAAP: mapping modulators, agonists, and antagonists to predict the next bioactive target
Ana B Caniceiro, Ana M B Amorim, Nícia Rosário-Ferreira, et al.
Journal of Cheminformatics
|
July 24, 2025
mineMS2: annotation of spectral libraries with exact fragmentation patterns
Alexis Delabrière, Coline Gianfrotta, Sylvain Dechaumet, et al.
Journal of Cheminformatics
|
August 5, 2025
Neural SHAKE: geometric constraints in neural differential equations
Justin S Diamond, Markus A Lill
Page
of 137