Showing results (1311-1320 of 1,363) with videos related to
Sort By:
Pageof 137
Journal of Cheminformatics|July 4, 2024
PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language modelsMorgan Thomas, Mazen Ahmad, Gary Tresadern, et al.Journal of Cheminformatics|June 29, 2024
CPSign: conformal prediction for cheminformatics modelingStaffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, et al.Journal of Cheminformatics|January 23, 2024
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and productsPaula Carracedo-Reboredo, Eider Aranzamendi, Shan He, et al.Journal of Cheminformatics|January 24, 2024
Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditionsLung-Yi Chen, Yi-Pei LiJournal of Cheminformatics|February 6, 2024
AdductHunter: identifying protein-metal complex adducts in mass spectraDerek Long, Liam Eade, Matthew P Sullivan, et al.Journal of Cheminformatics|August 29, 2024
Evaluating the generalizability of graph neural networks for predicting collision cross sectionChloe Engler Hart, António José Preto, Shaurya Chanana, et al.Journal of Cheminformatics|September 28, 2024
A multi-view feature representation for predicting drugs combination synergy based on ensemble and multi-task attention modelsSamar Monem, Aboul Ella Hassanien, Alaa H Abdel-HamidJournal of Cheminformatics|October 24, 2024
MEF-AlloSite: an accurate and robust Multimodel Ensemble Feature selection for the Allosteric Site identification modelSadettin Y Ugurlu, David McDonald, Shan HeJournal of Cheminformatics|October 7, 2024
Data mining of PubChem bioassay records reveals diverse OXPHOS inhibitory chemotypes as potential therapeutic agents against ovarian cancerSejal Sharma, Liping Feng, Nicha Boonpattrawong, et al.Journal of Cheminformatics|October 7, 2024
Bitter peptide prediction using graph neural networksPrashant Srivastava, Alexandra Steuer, Francesco Ferri, et al.Pageof 137