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Journal of Cheminformatics
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February 24, 2015
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Isidro Cortes-Ciriano, Daniel S Murrell, Gerard Jp van Westen, et al.
Journal of Cheminformatics
|
February 24, 2015
When drug discovery meets web search: Learning to Rank for ligand-based virtual screening
Wei Zhang, Lijuan Ji, Yanan Chen, et al.
Journal of Cheminformatics
|
May 21, 2023
Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties
Rajarshi Guha, Darrell Velegol
Journal of Cheminformatics
|
February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, et al.
Journal of Cheminformatics
|
August 20, 2025
ReactionT5: a pre-trained transformer model for accurate chemical reaction prediction with limited data
Tatsuya Sagawa, Ryosuke Kojima
Journal of Cheminformatics
|
March 4, 2023
MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry
Mahnoor Zulfiqar, Luiz Gadelha, Christoph Steinbeck, et al.
Journal of Cheminformatics
|
February 11, 2023
MDSuite: comprehensive post-processing tool for particle simulations
Samuel Tovey, Fabian Zills, Francisco Torres-Herrador, et al.
Journal of Cheminformatics
|
February 11, 2023
Global reactivity models are impactful in industrial synthesis applications
Paulo Neves, Kelly McClure, Jonas Verhoeven, et al.
Journal of Cheminformatics
|
July 16, 2015
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases
Gang Fu, Colin Batchelor, Michel Dumontier, et al.
Journal of Cheminformatics
|
June 26, 2015
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models
V Ruusmann, S Sild, U Maran
Page
of 137
Search research articles
Search
Showing results (921-930 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
February 24, 2015
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Isidro Cortes-Ciriano, Daniel S Murrell, Gerard Jp van Westen, et al.
Journal of Cheminformatics
|
February 24, 2015
When drug discovery meets web search: Learning to Rank for ligand-based virtual screening
Wei Zhang, Lijuan Ji, Yanan Chen, et al.
Journal of Cheminformatics
|
May 21, 2023
Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties
Rajarshi Guha, Darrell Velegol
Journal of Cheminformatics
|
February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, et al.
Journal of Cheminformatics
|
August 20, 2025
ReactionT5: a pre-trained transformer model for accurate chemical reaction prediction with limited data
Tatsuya Sagawa, Ryosuke Kojima
Journal of Cheminformatics
|
March 4, 2023
MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry
Mahnoor Zulfiqar, Luiz Gadelha, Christoph Steinbeck, et al.
Journal of Cheminformatics
|
February 11, 2023
MDSuite: comprehensive post-processing tool for particle simulations
Samuel Tovey, Fabian Zills, Francisco Torres-Herrador, et al.
Journal of Cheminformatics
|
February 11, 2023
Global reactivity models are impactful in industrial synthesis applications
Paulo Neves, Kelly McClure, Jonas Verhoeven, et al.
Journal of Cheminformatics
|
July 16, 2015
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases
Gang Fu, Colin Batchelor, Michel Dumontier, et al.
Journal of Cheminformatics
|
June 26, 2015
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models
V Ruusmann, S Sild, U Maran
Page
of 137