Data Collections for Chemical Modelling

Filter by

Subject
Access
Publisher
License

This resource theme offers access to carefully curated data collections from diverse sources, as well as data exemplars developed through case studies. These exemplars explore innovative methods to enhance data capture, improve quality, facilitate sharing, and revive legacy data in meaningful ways. Our goal is to create, store, and manage robust data collections in the physical sciences, ensuring they are easily accessible to researchers. By simplifying data discovery and reuse, we promote broader utilisation and accelerate scientific advancements.

Sort by

Data Sources

Critical Micelle Concentration (CMC) Data Collection

This dataset is derived from the National Institute of Standards and Technology (NIST) publication, "Critical Micelle Concentrations of Aqueous Surfactant Systems" (http://doi.org/10.6028/NBS.NSRDS.36). The data was extracted using the AI-driven Data Revival service (http://www.data-revival.com/), then manually enhanced by adding SMILES strings, and finally reprocessed by Data Revival to be fully converted into a machine-readable format for improved accessibility and interoperability.

Physical Chemistry Properties Data Collection

This collection of datasets focuses on solubility-related information, including boiling points, Henry's law constants, LogS, melting points, and mole fractions. The Physical Chemistry Properties Data Collection provides carefully curated and standardized data on key chemical properties, empowering researchers to effectively model, analyze, and drive innovation in the field of physical chemistry.