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Journal of cheminformatics

Showing results (181-190 of 1,439) with videos related to

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Journal of Cheminformatics|September 27, 2022
Conditional reduction of the loss value versus reinforcement learning for biassing a de-novo drug design generatorMohamed-Amine Chadi, Hajar Mousannif, Ahmed Aamouche
Journal of Cheminformatics|March 17, 2021
Learning chemistry: exploring the suitability of machine learning for the task of structure-based chemical ontology classificationJanna Hastings, Martin Glauer, Adel Memariani, et al.
Journal of Cheminformatics|March 19, 2021
MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILESYongbeom Kwon, Juyong Lee
Journal of Cheminformatics|March 7, 2021
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification modelsAnnachiara Tinivella, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics|March 9, 2021
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literatureKohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, et al.
Journal of Cheminformatics|February 2, 2021
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluationsKohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, et al.
Journal of Cheminformatics|November 25, 2021
Development of a chemogenomics library for phenotypic screeningBryan Dafniet, Natacha Cerisier, Batiste Boezio, et al.
Journal of Cheminformatics|December 13, 2021
Processing binding data using an open-source workflowErrol L G Samuel, Secondra L Holmes, Damian W Young
Journal of Cheminformatics|November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular designJeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Journal of Cheminformatics|December 8, 2021
Splitting chemical structure data sets for federated privacy-preserving machine learningJaak Simm, Lina Humbeck, Adam Zalewski, et al.
Pageof 144

Showing results (181-190 of 1,439) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|September 27, 2022
Conditional reduction of the loss value versus reinforcement learning for biassing a de-novo drug design generatorMohamed-Amine Chadi, Hajar Mousannif, Ahmed Aamouche
Journal of Cheminformatics|March 17, 2021
Learning chemistry: exploring the suitability of machine learning for the task of structure-based chemical ontology classificationJanna Hastings, Martin Glauer, Adel Memariani, et al.
Journal of Cheminformatics|March 19, 2021
MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILESYongbeom Kwon, Juyong Lee
Journal of Cheminformatics|March 7, 2021
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification modelsAnnachiara Tinivella, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics|March 9, 2021
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literatureKohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, et al.
Journal of Cheminformatics|February 2, 2021
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluationsKohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, et al.
Journal of Cheminformatics|November 25, 2021
Development of a chemogenomics library for phenotypic screeningBryan Dafniet, Natacha Cerisier, Batiste Boezio, et al.
Journal of Cheminformatics|December 13, 2021
Processing binding data using an open-source workflowErrol L G Samuel, Secondra L Holmes, Damian W Young
Journal of Cheminformatics|November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular designJeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Journal of Cheminformatics|December 8, 2021
Splitting chemical structure data sets for federated privacy-preserving machine learningJaak Simm, Lina Humbeck, Adam Zalewski, et al.
Pageof 144