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Journal of Cheminformatics|November 1, 2017
Nonpher: computational method for design of hard-to-synthesize structuresMilan Voršilák, Daniel SvozilJournal of Cheminformatics|November 1, 2017
Open chemistry: RESTful web APIs, JSON, NWChem and the modern web applicationMarcus D Hanwell, Wibe A de Jong, Christopher J HarrisJournal of Cheminformatics|November 1, 2017
Computational methods using weighed-extreme learning machine to predict protein self-interactions with protein evolutionary informationJi-Yong An, Lei Zhang, Yong Zhou, et al.Journal of Cheminformatics|November 22, 2017
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulationsLuigi Capoferri, Marc van Dijk, Ariën S Rustenburg, et al.Journal of Cheminformatics|December 20, 2018
A probabilistic molecular fingerprint for big data settingsDaniel Probst, Jean-Louis ReymondJournal of Cheminformatics|January 12, 2019
LSTMVoter: chemical named entity recognition using a conglomerate of sequence labeling toolsWahed Hemati, Alexander MehlerJournal of Cheminformatics|January 12, 2019
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discoveryNicolas Bosc, Francis Atkinson, Eloy Felix, et al.Journal of Cheminformatics|February 6, 2019
Chemoinformatics and structural bioinformatics in OCamlFrancois Berenger, Kam Y J Zhang, Yoshihiro YamanishiJournal of Cheminformatics|February 4, 2019
Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial settingThierry Hanser, Fabian P Steinmetz, Jeffrey Plante, et al.Journal of Cheminformatics|March 9, 2018
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screeningRafaela Gladysz, Fabio Mendes Dos Santos, Wilfried Langenaeker, et al.Pageof 137