InChI Trust Membership

Continuing our long term efforts to make chemical information available to everyone, the OntoChem IT Solutions is proud to be able to join the InChI Trust. The InChI Trust is the agency behind the internationally agreed standard representation of chemical structures, the IUPAC InChI. Those chemical identifiers have been widely used throughout our chemical ontologies for years and we are looking forward to continue this standardization drive together with the other InChI Trust members and associates. 

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.

New SciWalker demo video

We created a short sneak-peak video highlighting some of the feaures of our SciWalker search engine that is still heavily in development. You can find it over at our Youtube channel.

Fast growth of our document collections

Our document collections continue to grow fast. Each day we now add on average almost 900 full-text scientific articles, 3000 abstracts and 3300 patents!

Understanding linguistic Markush expressions

Download the PDF from the talk we gave recently at the 254th ACS National Meeting & Exposition in Washington:

"Understanding linguistic Markush expressions in chemical patents" - (PDF 4,8 MB)