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Publications in Information Sciences
Consistency of Systematic Chemical Identifiers Within and Between Small-Molecule Databases
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Cross-Validation Is Dead. Long Live Cross-Validation! Model Validation Based on Resampling
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Robust Optimization of SVM Hyperparameters in the Classification of Bioactive Compounds
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
The Influence of the Inactives Subset Generation on the Performance of Machine Learning Methods
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Creation of a Free, Internet-Accessible Database: The Multiple Target Ligand Database
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Application of Spectrophores™ to Map Vendor Chemical Space Using Self-Organising Maps
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Connecting Information Literacy and Social Justice: Why and How
Communications in Information Literacy
E-learning
Education
Library
Information Sciences
Preliminary Characterization of N-Trimethylchitosan as a Nanocarrier for Malarie Vaccine
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Applicability Domain for Classification Problems
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
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 Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
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