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Journal of cheminformatics

Showing results (471-480 of 1,363) with videos related to

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Journal of Cheminformatics|November 1, 2017
Comparative analyses of structural features and scaffold diversity for purchasable compound librariesJun 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 cellsOmer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Journal of Cheminformatics|November 1, 2017
CPANNatNIC software for counter-propagation neural network to assist in read-acrossViktor 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 pathfindingSarah 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 modelsWaldemar Klingspohn, Miriam Mathea, Antonius Ter Laak, et al.
Journal of Cheminformatics|July 7, 2016
Comparing structural fingerprints using a literature-based similarity benchmarkNoel 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 applicationDane 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 coefficientsDavid 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 scoresHenry Heberle, Linlin Zhao, Sebastian Schmidt, et al.
Pageof 137

Showing results (471-480 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|November 1, 2017
Comparative analyses of structural features and scaffold diversity for purchasable compound librariesJun 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 cellsOmer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Journal of Cheminformatics|November 1, 2017
CPANNatNIC software for counter-propagation neural network to assist in read-acrossViktor 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 pathfindingSarah 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 modelsWaldemar Klingspohn, Miriam Mathea, Antonius Ter Laak, et al.
Journal of Cheminformatics|July 7, 2016
Comparing structural fingerprints using a literature-based similarity benchmarkNoel 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 applicationDane 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 coefficientsDavid 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 scoresHenry Heberle, Linlin Zhao, Sebastian Schmidt, et al.
Pageof 137