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Molecular Informatics|July 8, 2024
Ensemble docking based virtual screening of SARS-CoV-2 main protease inhibitorsAnastasia D Fomina, Victoria I Uvarova, Liubov I Kozlovskaya, et al.Molecular Informatics|June 12, 2024
Comparing search algorithms on the retrosynthesis problemMilo Roucairol, Tristan CazenaveMolecular Informatics|October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical librariesKonstantin I Popov, James Wellnitz, Travis Maxfield, et al.Molecular Informatics|March 15, 2018
A Novel/Old Modification of the First Zagreb IndexAkbar Ali, Nenad TrinajstićMolecular Informatics|January 18, 2019
Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised DatasetJames W Firman, Samuel J Belfield, George Chen, et al.Molecular Informatics|January 18, 2019
New QSPR Models to Predict the Flammability of Binary Liquid MixturesGuillaume Fayet, Patricia RotureauMolecular Informatics|February 7, 2019
Predictive Computational Tools for Assessment of Ecotoxicological Activity of Organic Micropollutants in Various Water Sources in BrazilLuana de Morais E Silva, Vitor Prates Lorenzo, Wilton Silva Lopes, et al.Molecular Informatics|September 23, 2020
Pharmacoinformatic Investigation of Medicinal Plants from East AfricaConrad V Simoben, Ammar Qaseem, Aurélien F A Moumbock, et al.Molecular Informatics|January 17, 2020
Partial Least Squares Discriminant Analysis and 3D Similarity Perspective Applied to Analyze Comprehensively the Selectivity of Glycogen Synthase Kinase 3 InhibitorsLuminita Crisan, Sorin Avram, Ludovic Kurunczi, et al.Molecular Informatics|January 8, 2020
Scalable Prediction of Compound-protein Interaction on Compressed Molecular FingerprintsYasuo TabeiPageof 101