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Journal of Cheminformatics
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September 27, 2022
Conditional reduction of the loss value versus reinforcement learning for biassing a de-novo drug design generator
Mohamed-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 classification
Janna 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 SMILES
Yongbeom Kwon, Juyong Lee
Journal of Cheminformatics
|
March 7, 2021
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models
Annachiara Tinivella, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics
|
March 9, 2021
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature
Kohulan 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 evaluations
Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, et al.
Journal of Cheminformatics
|
November 25, 2021
Development of a chemogenomics library for phenotypic screening
Bryan Dafniet, Natacha Cerisier, Batiste Boezio, et al.
Journal of Cheminformatics
|
December 13, 2021
Processing binding data using an open-source workflow
Errol L G Samuel, Secondra L Holmes, Damian W Young
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff 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 learning
Jaak Simm, Lina Humbeck, Adam Zalewski, et al.
Page
of 144
Search research articles
Search
Showing results (181-190 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
September 27, 2022
Conditional reduction of the loss value versus reinforcement learning for biassing a de-novo drug design generator
Mohamed-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 classification
Janna 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 SMILES
Yongbeom Kwon, Juyong Lee
Journal of Cheminformatics
|
March 7, 2021
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models
Annachiara Tinivella, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics
|
March 9, 2021
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature
Kohulan 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 evaluations
Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, et al.
Journal of Cheminformatics
|
November 25, 2021
Development of a chemogenomics library for phenotypic screening
Bryan Dafniet, Natacha Cerisier, Batiste Boezio, et al.
Journal of Cheminformatics
|
December 13, 2021
Processing binding data using an open-source workflow
Errol L G Samuel, Secondra L Holmes, Damian W Young
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff 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 learning
Jaak Simm, Lina Humbeck, Adam Zalewski, et al.
Page
of 144