Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model

Posted on August 1, 2020August 1, 2020Categories Artikel, Kimia, KomputasiTags   Leave a comment on Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model

View Author InformationCite this: J. Chem. Inf. Comput. Sci. 1999, 39, 6, 974–983Publication Date:November 3, 1999https://doi.org/10.1021/ci990071lCopyright © 1999 American Chemical SocietyRIGHTS & PERMISSIONS Abstract Computational methods were used to link the molecular structures of diverse, industrially important, organic compounds from three different data sets to their normal boiling points. The data were provided by the Design Institute for Physical Property Data (DIPPR) Project 801 database. These data sets were composed of 298 hydrocarbons and heteroatom-containing structures including N compounds (data set I), … Continue reading “Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model”