Move more winning compounds into clinical trial faster. With the cheminformatics solution from IBM and Tripos, you can build a virtual discovery lab to quickly test and better understand molecular behaviors. Search and screen disparate molecular databases. Find compounds matching pharmacophore or receptor-site constraints, and dock conformationally flexible ligands.


Leverage our stability and permanence
The cheminformatics solution from IBM and Tripos offers long-term commitment and support to life sciences researchers.

IBM is a stable technology leader.
Has a dedicated IBM Life Sciences practice with specialized industry experience to help you face increasing competitive pressure
Offers the processing power you need to solve complex scientific challenges

Tripos has been a recognized leader for over 20 years.
Has more than 1,000 customers in 46 countries, including the top pharmaceutical companies worldwide
Develops innovative computational solutions for drug discovery research based on deep industry knowledge
Visualize new chemical entities for deeper investigation
With visualization, you can view molecular structures and behaviors prior to experimentation. Construct and refine molecular models in a virtual state. Spend less time pursuing unproductive leads and more time on those that show greater promise.

With the cheminformatics solution from IBM and Tripos, you can test the effect of potential compounds on known molecules using data from multiple databases, and view the results.
Search and screen multiple 3-D or 2-D databases for molecules that achieve matching conformation, regardless of stored conformation.
Discover appropriate lead compounds and retrieve similar compounds to expand lead candidates. Search for a fit based upon assumptions about a particular target molecule.
Conduct deeper analysis by entering molecular structures and constructing molecular models.
Simulate and analyze protein-ligand interactions by directly docking a potential ligand into the active site of a receptor.
Test multiple molecular behaviors in a virtual setting before conducting experiments.

To support your intense computing needs, IBM Linux Clusters help you:
Process data more quickly to better understand molecular behaviors, and construct and refine molecular models on the fly.
Leverage the value of open source operating systems to power Tripos applications.
Speed the drug discovery process
The cheminformatics solution from IBM and Tripos can expand your potential for finding viable compounds. Screen hundreds of thousands of compounds before starting experiments.
Build structural queries based on molecules, molecular fragments, pharmacophore models or receptor sites.
Retrieve a number of molecules that could match the constraints of the query based on a search of connectivity patterns.
Virtually model molecules and dock ligands to see if they fit, adjusting as needed.

Returning data from massive, disparate compound databases can speed the drug discovery process. For one customer, Tripos generated drug leads within nine months, while the industry average is three to five years.

The cheminformatics solution from IBM and Tripos can help you control the costs associated with compound synthesis and testing.
Refocus resources to the most promising projects by detecting non-viable projects earlier.
Lessen labor-intensive, time-consuming turn-around times with virtual compound screening.
Reduce overall costs, while accelerating and enhancing delivery results from Tripos applications with efficient open source technology.
 

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