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Journal of Computer-Aided Molecular Design
|
August 4, 2014
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community
Antony Williams, Valery Tkachenko
Drug Discovery Today
|
March 20, 2012
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
Antony J Williams, Sean Ekins, Valery Tkachenko
The Journal of Physical Chemistry Letters
|
September 16, 2021
Size Doesn't Matter: Predicting Physico- or Biochemical Properties Based on Dozens of Molecules
Kirill Karpov, Artem Mitrofanov, Vadim Korolev, et al.
Journal of Chemical Information and Modeling
|
December 21, 2019
Graph Convolutional Neural Networks as "General-Purpose" Property Predictors: The Universality and Limits of Applicability
Vadim Korolev, Artem Mitrofanov, Alexandru Korotcov, et al.
Molecular Pharmaceutics
|
November 4, 2017
Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
Alexandru Korotcov, Valery Tkachenko, Daniel P Russo, et al.
Journal of the American Society for Mass Spectrometry
|
November 10, 2011
Identification of "known unknowns" utilizing accurate mass data and ChemSpider
James L Little, Antony J Williams, Alexey Pshenichnov, et al.
Journal of Cheminformatics
|
July 9, 2015
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets
Karen Karapetyan, Colin Batchelor, David Sharpe, et al.
Journal of Visualized Experiments : Jove
|
June 23, 2025
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Gregory Janesch, Erik Tyler Carr, Sakuntala Sivasupramaniam, et al.
Journal of Cheminformatics
|
March 25, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Journal of Cheminformatics
|
June 8, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Journal of Computer-Aided Molecular Design
|
August 4, 2014
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community
Antony Williams, Valery Tkachenko
Drug Discovery Today
|
March 20, 2012
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
Antony J Williams, Sean Ekins, Valery Tkachenko
The Journal of Physical Chemistry Letters
|
September 16, 2021
Size Doesn't Matter: Predicting Physico- or Biochemical Properties Based on Dozens of Molecules
Kirill Karpov, Artem Mitrofanov, Vadim Korolev, et al.
Journal of Chemical Information and Modeling
|
December 21, 2019
Graph Convolutional Neural Networks as "General-Purpose" Property Predictors: The Universality and Limits of Applicability
Vadim Korolev, Artem Mitrofanov, Alexandru Korotcov, et al.
Molecular Pharmaceutics
|
November 4, 2017
Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
Alexandru Korotcov, Valery Tkachenko, Daniel P Russo, et al.
Journal of the American Society for Mass Spectrometry
|
November 10, 2011
Identification of "known unknowns" utilizing accurate mass data and ChemSpider
James L Little, Antony J Williams, Alexey Pshenichnov, et al.
Journal of Cheminformatics
|
July 9, 2015
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets
Karen Karapetyan, Colin Batchelor, David Sharpe, et al.
Journal of Visualized Experiments : Jove
|
June 23, 2025
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Gregory Janesch, Erik Tyler Carr, Sakuntala Sivasupramaniam, et al.
Journal of Cheminformatics
|
March 25, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Journal of Cheminformatics
|
June 8, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Page
of 3