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Journal of cheminformatics

Showing results (801-810 of 1,363) with videos related to

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Journal of Cheminformatics|March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screeningNikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics|April 10, 2019
TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and dataDominique Sydow, Andrea Morger, Maximilian Driller, et al.
Journal of Cheminformatics|August 22, 2018
Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformationNikolay Kochev, Svetlana Avramova, Nina Jeliazkova
Journal of Cheminformatics|August 22, 2018
Probing the chemical-biological relationship space with the Drug Target ExplorerRobert J Allaway, Salvatore La Rosa, Justin Guinney, et al.
Journal of Cheminformatics|August 16, 2018
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structureRadoslav Krivák, David Hoksza
Journal of Cheminformatics|August 23, 2016
ILPC: simple chemometric tool supporting the design of ionic liquidsMaciej Barycki, Anita Sosnowska, Magdalena Piotrowska, et al.
Journal of Cheminformatics|May 23, 2019
Bayesian optimization for conformer generationLucian Chan, Geoffrey R Hutchison, Garrett M Morris
Journal of Cheminformatics|May 25, 2019
Capturing mixture composition: an open machine-readable format for representing mixed substancesAlex M Clark, Leah R McEwen, Peter Gedeck, et al.
Journal of Cheminformatics|November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCODAndrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics|June 1, 2022
canSAR chemistry registration and standardization pipelineDaniela Dolciami, Eloy Villasclaras-Fernandez, Christos Kannas, et al.
Pageof 137

Showing results (801-810 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screeningNikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics|April 10, 2019
TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and dataDominique Sydow, Andrea Morger, Maximilian Driller, et al.
Journal of Cheminformatics|August 22, 2018
Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformationNikolay Kochev, Svetlana Avramova, Nina Jeliazkova
Journal of Cheminformatics|August 22, 2018
Probing the chemical-biological relationship space with the Drug Target ExplorerRobert J Allaway, Salvatore La Rosa, Justin Guinney, et al.
Journal of Cheminformatics|August 16, 2018
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structureRadoslav Krivák, David Hoksza
Journal of Cheminformatics|August 23, 2016
ILPC: simple chemometric tool supporting the design of ionic liquidsMaciej Barycki, Anita Sosnowska, Magdalena Piotrowska, et al.
Journal of Cheminformatics|May 23, 2019
Bayesian optimization for conformer generationLucian Chan, Geoffrey R Hutchison, Garrett M Morris
Journal of Cheminformatics|May 25, 2019
Capturing mixture composition: an open machine-readable format for representing mixed substancesAlex M Clark, Leah R McEwen, Peter Gedeck, et al.
Journal of Cheminformatics|November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCODAndrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics|June 1, 2022
canSAR chemistry registration and standardization pipelineDaniela Dolciami, Eloy Villasclaras-Fernandez, Christos Kannas, et al.
Pageof 137