Sunday, 20 April 2014, 10:13:20
Aim of Curios-IT Print

Curios-IT is a brand-new cheminformatics company. We build tools to extract chemical and biological knowledge from your data. These tools can help you speed up your drug design projects.

Our current focus lies on the computational extraction of interesting substructures. AweSuM, the Awesome Substructure Miner, was built for this purpose and is being extended and optmised. AweSuM employs a method called substructure mining to find only interesting substructures. 

This site will contain various details about key substructures, the substructure mining method, our charitable goals, and more. So, act on your curiosity by browsing this site and contacting us!

 

Spark

To predict or not to predict?

A near-infinite number of endpoints are important before compounds can be released into the environment or market. To name a few: target affinity, solubility, stability and specificity. It is not always possible to build substructure-based models that are sufficiently predictive for each endpoint, but it is always possible to maximise the chemical knowledge that you extract from your data.

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