Alkanes Dataset

The input is a collection of 150 alkanes CnH2n+2with up to 10 carbon atoms (1331 vertexes). The alkanes are trees (satured acyclic hydrocarbons molecules). The task is the prediction of the boiling point temperature in Celsius degree scale(regression).

For questions regarding the database content, the origins of the learning dataset, the updating on the results for this data and collaborations, read the Description file and please contact Alessio Micheli (E-mail: micheli@di.unipi.it).