OIS and novomol develop new compound property prediction systems

OIS and novomol (www.novomol.com) collaborate to jointly develop new Big Data analytics solutions in the field of compound properties. OntoChem IT Solutions is extracting compound properties from its large scale data collections such as patents, scientific articles, or webpages. Novomol is then using its novel proprietary EDEN platform to analyze the data and create models for compound property prediction systems.

The new system will allow to predict molecular properties such as biological activity against a panel of targets, physico-chemical properties such as solubility as well as ADMET properties such as toxicities. 

Different to known systems, the EDEN approach leverages the Big Data space on molecules as extracted from scientific documents, predicting all possible properties in one prediction run.