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Publications in Computer Science Applications

Applicability Domain for Classification Problems

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2010English

Review of “Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation (New Developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

InChI in the Wild: An Assessment of InChIKey Searching in Google

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

A Scenario Decomposition Algorithm for Stochastic Programming Problems With a Class of Downside Risk Measures

INFORMS Journal on Computing
Management ScienceComputer Science ApplicationsInformation SystemsOperations ResearchSoftware
2015English

Secure and Efficient Disjoint Multipath Construction for Fault Tolerant Routing in Wireless Sensor Networks

Journal of Network and Computer Applications
HardwareComputer NetworksComputer Science ApplicationsArchitectureCommunications
2011English

Computer-Aided Studies of Molecular Structure-Comparison of Measured and Computed ECD Spectra

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2012English

An Investigation Into Pharmaceutically Relevant Mutagenicity Data and the Influence on Ames Predictive Potential

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2011English

A Branch-Price-And-Cut Procedure for the Discrete Ordered Median Problem

INFORMS Journal on Computing
Management ScienceComputer Science ApplicationsInformation SystemsOperations ResearchSoftware
2020English

A Machine Learning-Based Approximation of Strong Branching

INFORMS Journal on Computing
Management ScienceComputer Science ApplicationsInformation SystemsOperations ResearchSoftware
2017English

The Influence of Solid State Information and Descriptor Selection on Statistical Models of Temperature Dependent Aqueous Solubility

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2018English

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