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Molecular Informatics|October 6, 2015
Cheminformatics Research at the Unilever Centre for Molecular Science Informatics CambridgeJulian E Fuchs, Andreas Bender, Robert C GlenMolecular Informatics|May 24, 2019
Topological QSAR Modelling of Carboxamides Repellent Activity to Aedes AegyptiJ P Doucet, A Doucet-Panaye, E PapaMolecular Informatics|May 24, 2019
Identification of the Apoptosis and Autophagy Bi-functional ProteinsPeiran Wang, Zhichao ZhangMolecular Informatics|July 28, 2018
Computational Approaches to Develop Isoquinoline Based Antibiotics through DNA Gyrase Inhibition Mechanisms Unveiled through Antibacterial Evaluation and Molecular DockingManikandan Alagumuthu, Vivek Panyam Muralidharan, Monic Andrew, et al.Molecular Informatics|August 10, 2018
The Alkanes with Maximum Wiener Polarity IndexZhibin Du, Akbar AliMolecular Informatics|July 5, 2018
Predictive Models for HOMO and LUMO Energies of N-Donor Heterocycles as Ligands for Lanthanides SeparationVitaly P Solov'ev, Yuri A Ustynyuk, Nelly I Zhokhova, et al.Molecular Informatics|August 2, 2018
COX Inhibition Profiles and Molecular Docking Studies of the Lignan Hinokinin and Some Synthetic DerivativesAlexandre Borges, Rosana Casoti, Marcio Luis Andrade E Silva, et al.Molecular Informatics|October 8, 2021
Generative Adversarial Networks for De Novo Molecular DesignYoung Jae Lee, Hyungu Kahng, Seoung Bum KimMolecular Informatics|February 14, 2022
Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical SpacesFabio Broccatelli, Richard Trager, Michael Reutlinger, et al.Molecular Informatics|February 23, 2022
Multi-targeted Drug Repurposing Approach for Breast Cancer via Integrated Functional Network AnalysisThirukumaran Kandasamy, Plaboni Sen, Siddhartha Sankar GhoshPageof 101