title: QSPR of 3-aryloxazolidin-2-one antibacterials.
abstract: A QSPR treatment has been applied to a data set consisting of 60 3-aryloxazolidin-2-one antibacterials to relate the in vitro minimum inhibitory concentration (MIC) (required to inhibiting growth of S. aureus) with theoretical molecular and fragment descriptors. The treatment using codessa pro descriptors leads to a seven-parameter model with r2 = 0.820 and r2cv = 0.758.
authors.affiliation: Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, PO Box 117200, Gainesville, FL 32611, USA. katritzky@chem.ufl.edu
authors.forename: Alan R
authors.initials: AR
authors.lastname: Katritzky
authors.forename: Dan C
authors.initials: DC
authors.lastname: Fara
authors.forename: Mati
authors.initials: M
authors.lastname: Karelson
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D023303:Oxazolidinones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D013211:Staphylococcus aureus / Q000187:drug effects
chemical_list: D000900:Anti-Bacterial Agents; D023303:Oxazolidinones