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Journal of Cheminformatics
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March 21, 2017
Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructures
Steve O'Hagan, Douglas B Kell
Journal of Cheminformatics
|
August 8, 2019
Rapid prediction of NMR spectral properties with quantified uncertainty
Eric Jonas, Stefan Kuhn
Journal of Cheminformatics
|
January 4, 2026
Optimizing SMILES token sequences via trie-based refinement and transition graph filtering
Sridhar Radhakrishnan, Krish Mody, Arvind Venkatesh, et al.
Journal of Cheminformatics
|
April 4, 2025
Clc-db: an open-source online database of chiral ligands and catalysts
Gufeng Yu, Kaiwen Yu, Xi Wang, et al.
Journal of Cheminformatics
|
April 28, 2025
Translating community-wide spectral library into actionable chemical knowledge: a proof of concept with monoterpene indole alkaloids
Sarah Szwarc, Adriano Rutz, Kyungha Lee, et al.
Journal of Cheminformatics
|
April 29, 2025
E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays
Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, et al.
Journal of Cheminformatics
|
April 23, 2025
GESim: ultrafast graph-based molecular similarity calculation via von Neumann graph entropy
Hiroaki Shiokawa, Shoichi Ishida, Kei Terayama
Journal of Cheminformatics
|
April 21, 2025
Activity cliff-aware reinforcement learning for de novo drug design
Xiuyuan Hu, Guoqing Liu, Yang Zhao, et al.
Journal of Cheminformatics
|
April 21, 2025
Learning motif features and topological structure of molecules for metabolic pathway prediction
Jianguo Hu, Yiqing Zhang, Jinxin Xie, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
Page
of 144
Search research articles
Search
Showing results (41-50 of 1,436) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
March 21, 2017
Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructures
Steve O'Hagan, Douglas B Kell
Journal of Cheminformatics
|
August 8, 2019
Rapid prediction of NMR spectral properties with quantified uncertainty
Eric Jonas, Stefan Kuhn
Journal of Cheminformatics
|
January 4, 2026
Optimizing SMILES token sequences via trie-based refinement and transition graph filtering
Sridhar Radhakrishnan, Krish Mody, Arvind Venkatesh, et al.
Journal of Cheminformatics
|
April 4, 2025
Clc-db: an open-source online database of chiral ligands and catalysts
Gufeng Yu, Kaiwen Yu, Xi Wang, et al.
Journal of Cheminformatics
|
April 28, 2025
Translating community-wide spectral library into actionable chemical knowledge: a proof of concept with monoterpene indole alkaloids
Sarah Szwarc, Adriano Rutz, Kyungha Lee, et al.
Journal of Cheminformatics
|
April 29, 2025
E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays
Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, et al.
Journal of Cheminformatics
|
April 23, 2025
GESim: ultrafast graph-based molecular similarity calculation via von Neumann graph entropy
Hiroaki Shiokawa, Shoichi Ishida, Kei Terayama
Journal of Cheminformatics
|
April 21, 2025
Activity cliff-aware reinforcement learning for de novo drug design
Xiuyuan Hu, Guoqing Liu, Yang Zhao, et al.
Journal of Cheminformatics
|
April 21, 2025
Learning motif features and topological structure of molecules for metabolic pathway prediction
Jianguo Hu, Yiqing Zhang, Jinxin Xie, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
Page
of 144