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Journal of cheminformatics

Showing results (391-400 of 1,363) with videos related to

Pageof 137
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Journal of Cheminformatics|June 1, 2013
Open-source platform to benchmark fingerprints for ligand-based virtual screeningSereina Riniker, Gregory A Landrum
Journal of Cheminformatics|April 27, 2013
Extracting and connecting chemical structures from text sources using chemicalize.orgChristopher Southan, Andras Stracz
Journal of Cheminformatics|June 2, 2012
Building an R&D chemical registration systemElyette Martin, Aurélien Monge, Jacques-Antoine Duret, et al.
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
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
Pageof 137

Showing results (391-400 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|June 1, 2013
Open-source platform to benchmark fingerprints for ligand-based virtual screeningSereina Riniker, Gregory A Landrum
Journal of Cheminformatics|April 27, 2013
Extracting and connecting chemical structures from text sources using chemicalize.orgChristopher Southan, Andras Stracz
Journal of Cheminformatics|June 2, 2012
Building an R&D chemical registration systemElyette Martin, Aurélien Monge, Jacques-Antoine Duret, et al.
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
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
Pageof 137