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Journal of Cheminformatics
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November 1, 2017
Comparative analyses of structural features and scaffold diversity for purchasable compound libraries
Jun Shang, Huiyong Sun, Hui Liu, et al.
Journal of Cheminformatics
|
November 1, 2017
RANdom SAmple Consensus (RANSAC) algorithm for material-informatics: application to photovoltaic solar cells
Omer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Journal of Cheminformatics
|
November 1, 2017
CPANNatNIC software for counter-propagation neural network to assist in read-across
Viktor Drgan, Špela Župerl, Marjan Vračko, et al.
Journal of Cheminformatics
|
November 1, 2017
Electronic lab notebooks: can they replace paper?
Samantha Kanza, Cerys Willoughby, Nicholas Gibbins, et al.
Journal of Cheminformatics
|
November 1, 2017
A review of parameters and heuristics for guiding metabolic pathfinding
Sarah M Kim, Matthew I Peña, Mark Moll, et al.
Journal of Cheminformatics
|
November 1, 2017
Efficiency of different measures for defining the applicability domain of classification models
Waldemar Klingspohn, Miriam Mathea, Antonius Ter Laak, et al.
Journal of Cheminformatics
|
July 7, 2016
Comparing structural fingerprints using a literature-based similarity benchmark
Noel M O'Boyle, Roger A Sayle
Journal of Cheminformatics
|
January 18, 2023
New algorithms demonstrate untargeted detection of chemically meaningful changing units and formula assignment for HRMS data of polymeric mixtures in the open-source constellation web application
Dane R Letourneau, Dennis D August, Dietrich A Volmer
Journal of Cheminformatics
|
January 19, 2023
Dimensionally reduced machine learning model for predicting single component octanol-water partition coefficients
David H Kenney, Randy C Paffenroth, Michael T Timko, et al.
Journal of Cheminformatics
|
January 7, 2023
XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores
Henry Heberle, Linlin Zhao, Sebastian Schmidt, et al.
Page
of 137
Search research articles
Search
Showing results (471-480 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
November 1, 2017
Comparative analyses of structural features and scaffold diversity for purchasable compound libraries
Jun Shang, Huiyong Sun, Hui Liu, et al.
Journal of Cheminformatics
|
November 1, 2017
RANdom SAmple Consensus (RANSAC) algorithm for material-informatics: application to photovoltaic solar cells
Omer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Journal of Cheminformatics
|
November 1, 2017
CPANNatNIC software for counter-propagation neural network to assist in read-across
Viktor Drgan, Špela Župerl, Marjan Vračko, et al.
Journal of Cheminformatics
|
November 1, 2017
Electronic lab notebooks: can they replace paper?
Samantha Kanza, Cerys Willoughby, Nicholas Gibbins, et al.
Journal of Cheminformatics
|
November 1, 2017
A review of parameters and heuristics for guiding metabolic pathfinding
Sarah M Kim, Matthew I Peña, Mark Moll, et al.
Journal of Cheminformatics
|
November 1, 2017
Efficiency of different measures for defining the applicability domain of classification models
Waldemar Klingspohn, Miriam Mathea, Antonius Ter Laak, et al.
Journal of Cheminformatics
|
July 7, 2016
Comparing structural fingerprints using a literature-based similarity benchmark
Noel M O'Boyle, Roger A Sayle
Journal of Cheminformatics
|
January 18, 2023
New algorithms demonstrate untargeted detection of chemically meaningful changing units and formula assignment for HRMS data of polymeric mixtures in the open-source constellation web application
Dane R Letourneau, Dennis D August, Dietrich A Volmer
Journal of Cheminformatics
|
January 19, 2023
Dimensionally reduced machine learning model for predicting single component octanol-water partition coefficients
David H Kenney, Randy C Paffenroth, Michael T Timko, et al.
Journal of Cheminformatics
|
January 7, 2023
XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores
Henry Heberle, Linlin Zhao, Sebastian Schmidt, et al.
Page
of 137