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Journal of Cheminformatics|January 12, 2021
Aromatic clusters in protein-protein and protein-drug complexesEsteban Lanzarotti, Lucas A Defelipe, Marcelo A Marti, et al.Journal of Cheminformatics|January 12, 2021
Predicting liver cytosol stability of small moleculesPranav Shah, Vishal B Siramshetty, Alexey V Zakharov, et al.Journal of Cheminformatics|January 12, 2021
Neural machine translation of chemical nomenclature between English and ChineseTingjun Xu, Weiming Chen, Junhong Zhou, et al.Journal of Cheminformatics|January 12, 2021
A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directionsTamer N Jarada, Jon G Rokne, Reda AlhajjJournal of Cheminformatics|January 12, 2021
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approachYash Khemchandani, Stephen O'Hagan, Soumitra Samanta, et al.Journal of Cheminformatics|January 12, 2021
A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubilityBowen Tang, Skyler T Kramer, Meijuan Fang, et al.Journal of Cheminformatics|January 12, 2021
Compressed graph representation for scalable molecular graph generationYoungchun Kwon, Dongseon Lee, Youn-Suk Choi, et al.Journal of Cheminformatics|September 22, 2016
XMetDB: an open access database for xenobiotic metabolismOla Spjuth, Patrik Rydberg, Egon L Willighagen, et al.Journal of Cheminformatics|September 8, 2016
Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophoresNathalie Lagarde, Solenne Delahaye, Jean-François Zagury, et al.Journal of Cheminformatics|September 9, 2016
Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualizationSakari Lätti, Sanna Niinivehmas, Olli T PentikäinenPageof 137