Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
datasetposted on 2015-12-09, 14:07 authored by Antony WilliamsAntony Williams, Daniel Lowe, Igor Tetko
We have developed a pipeline for the automated extraction and annotation of chemical data from published patents. Almost 300,000 data points have been collected and used to develop models to predict melting and pyrolysis (decomposition) points using tools available on the OCHEM modeling platform (http://ochem.eu).
Two data sets are associated with the resulting publication authored by Tetko et al. "The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from patents". Details are on Kudos at https://www.growkudos.com/publications/10.1186%252Fs13321-016-0113-y