Datensatz

Solv@TUM v 1.0

The Solv@TUM database contains a collection of experimentally measured partition coefficients for a large number of molecular solutes in non-aqueous solvents. The database is aimed at providing reference data for e.g. the parameter fitting of effective solvation models. The data has been compiled from the works of Abraham, Acree and co-workers and will be regularly updated as new data becomes available. Each entry is provided with the respective literature reference. The database is given as a single structure data file (SDF). An exemplary interface for Python using PyBel and OpenBabel is also provided

Distributionen

• ZIP https://mediatum.ub.tum.de/1452571

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  Letzte Änderung:

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  Verfügbarkeit:

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  Offenheit der Lizenz:

  Freie Nutzung

  Nutzungsbedingungen:

  Creative Commons Namensnennung - Weitergabe unter gleichen Bedingungen (CC-BY-SA)

  Namensnennungstext:

  Hille, Christoph (1) ; Ringe, Stefan (2) ; Deimel, Martin (1) ; Kunkel, Christian (1) ; Acree, William E. (3) ; Reuter, Karsten (1) ; Oberhofer, Harald (1)

  URL:

  https://mediatum.ub.tum.de/1452571

Metadaten

• RDF Link zu den Metadaten im Format RDF/XML

  URL:

  https://www.govdata.de/ckan/dataset/solvtum-v-1-0.rdf