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Molecular Informatics|January 6, 2022
An AI-based Prediction Model for Drug-drug Interactions in Osteoporosis and Paget's Diseases from SMILESTruong Nguyen Khanh Hung, Nguyen Quoc Khanh Le, Ngoc Hoang Le, et al.
Molecular Informatics|December 8, 2021
Block-wise Exploration of Molecular Descriptors with Multi-block Orthogonal Component Analysis (MOCA)Sebastian Schmidt, Michael Schindler, Lennart Eriksson
Molecular Informatics|April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor SpaceTomoyuki Miyao, Kimito Funatsu
Molecular Informatics|December 28, 2021
Pharmacophore-guided Virtual Screening to Identify New β3 -adrenergic Receptor AgonistsNavista Sri Octa Ujiantari, Seungmin Ham, Chisae Nagiri, et al.
Molecular Informatics|June 13, 2019
Novel Electrotopological Atomic Descriptors for the Prediction of Xenobiotic Cytochrome P450 ReactionsKazuma Kaitoh, Masaaki Kotera, Kimito Funatsu
Molecular Informatics|June 6, 2019
In silico Design, Virtual Screening and Synthesis of Novel Electrolytic SolventsG Marcou, B Flamme, G Beck, et al.
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