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Molecules (Basel, Switzerland)|August 27, 2021
Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair KernelShunsuke Tamura, Swarit Jasial, Tomoyuki Miyao, et al.Journal of Computer-Aided Molecular Design|August 23, 2019
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationshipsTomoyuki Miyao, Swarit Jasial, Jürgen Bajorath, et al.Journal of Computer-Aided Molecular Design|January 4, 2021
Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representationsAkinori Sato, Tomoyuki Miyao, Swarit Jasial, et al.Journal of Chemical Information and Modeling|May 7, 2019
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular StructureShunsuke Tamura, Tomoyuki Miyao, Kimito FunatsuMolecular Informatics|August 25, 2020
Ligand-based Activity Cliff Prediction Models with Applicability DomainShunsuke Tamura, Tomoyuki Miyao, Kimito FunatsuACS Pharmacology & Translational Science|January 19, 2023
Screening and Validation of Odorants against Influenza A Virus Using Interpretable Regression ModelsSwarit Jasial, Jieying Hu, Tomoyuki Miyao, et al.Molecular Informatics|April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor SpaceTomoyuki Miyao, Kimito FunatsuJournal of Chemical Information and Modeling|May 7, 2019
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various PropertiesTomoyuki Miyao, Kimito FunatsuACS Omega|September 23, 2024
Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction FingerprintRezi Riadhi Syahdi, Swarit Jasial, Itsuki Maeda, et al.Molecular Informatics|July 28, 2016
Exhaustive Structure Generation for Inverse-QSPR/QSARTomoyuki Miyao, Masamoto Arakawa, Kimito FunatsuPageof 16