The Cheminformatics division of Cognigene provides solutions for drug discovery research.

We have adopted dual approach (Both Data and hypothesis-driven process) for exploration and study of putative drug targets.

We have developed various Cheminformatics tools and optimized many existing tools.

Software for Cheminformatics

Understanding chemical behavior of molecules through chemical structures is an integral part of pharmaceutical research, so we are working on a proper structure editor and viewer which support all data format. We have optimized certain tools like…

• Chemical Structure Visualization Package.
• Package for conversion between structure and SMILE.
• Structure Editor
• Browser for Chemical Structure Databases

Computational tools for faster lead identification and optimization.

Combinatorial Library Enumerator
The need to expand and explore chemical space of a prospective scaffold to all possible permutations and combinations with wide range of functional groups attached is very critical steps in drug discovery process. Our combinatorial chemical library building is done by exploiting the power of computational techniques.
Our improvised Combinatorial Library Enumerator builds all possible structures for a scaffold with desired functional groups, thereby enabling you to build a very large in-silico chemical database. This chemical database can further be screened to expedite lead identification and lead optimization.

Predictive software for ADME and pharmacokinetic characteristics
In-silico screening of Physico-Chemical property, using Lipinski criteria may reduce wet-lab experiments thus reducing the cost of drug discovery enormously. This can be tailored to suit your requirement.
Also, in-silico screening based on known ADME/Toxicity knowledge base would further reduce the drug discovery cost by reducing the load on pre-clinical and clinical trials. With an expert team of chemists and mathematicians, we have strong capability to build advanced ADME/Toxicity Property Calculator.

Currently we are in process of developing a unique Chemical Information Retrieval System and its query language.