Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
datasetposted on 09.12.2015 by Antony Williams, Daniel Lowe, Igor Tetko
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
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