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Journal of cheminformatics

Showing results (71-80 of 1,436) with videos related to

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Journal of Cheminformatics|November 1, 2017
Critical Assessment of Small Molecule Identification 2016: automated methodsEmma L Schymanski, Christoph Ruttkies, Martin Krauss, et al.
Journal of Cheminformatics|November 1, 2017
An algorithm to identify functional groups in organic moleculesPeter Ertl
Journal of Cheminformatics|November 1, 2017
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingEgon L Willighagen, John W Mayfield, Jonathan Alvarsson, et al.
Journal of Cheminformatics|November 1, 2017
Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?Oya Gürsoy, Martin Smieško
Journal of Cheminformatics|November 1, 2017
Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3DGerman A Preciat Gonzalez, Lemmer R P El Assal, Alberto Noronha, et al.
Journal of Cheminformatics|November 1, 2017
SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machinesTong He, Marten Heidemeyer, Fuqiang Ban, et al.
Journal of Cheminformatics|November 1, 2017
Nonpher: computational method for design of hard-to-synthesize structuresMilan Voršilák, Daniel Svozil
Journal 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 Harris
Journal 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.
Pageof 144

Showing results (71-80 of 1,436) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|November 1, 2017
Critical Assessment of Small Molecule Identification 2016: automated methodsEmma L Schymanski, Christoph Ruttkies, Martin Krauss, et al.
Journal of Cheminformatics|November 1, 2017
An algorithm to identify functional groups in organic moleculesPeter Ertl
Journal of Cheminformatics|November 1, 2017
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingEgon L Willighagen, John W Mayfield, Jonathan Alvarsson, et al.
Journal of Cheminformatics|November 1, 2017
Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?Oya Gürsoy, Martin Smieško
Journal of Cheminformatics|November 1, 2017
Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3DGerman A Preciat Gonzalez, Lemmer R P El Assal, Alberto Noronha, et al.
Journal of Cheminformatics|November 1, 2017
SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machinesTong He, Marten Heidemeyer, Fuqiang Ban, et al.
Journal of Cheminformatics|November 1, 2017
Nonpher: computational method for design of hard-to-synthesize structuresMilan Voršilák, Daniel Svozil
Journal 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 Harris
Journal 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.
Pageof 144