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Home / Cheminformatics
ABOUT CHEMINFORMATICS
What is Cheminformatics ?
Store a Molecule
Find Exact Molecule
Substructure Search
Similarity Search
Cheminformatics Products
 
 
 
 
 
 
 
 
Cheminformatics
What is Cheminformatics?
Cheminformatics is a cross between Computer Science and Chemistry: the process of storing and retrieving information about chemical compounds.Information Systems are concerned with storing, retrieving, and searching information, and with storing relationships between bits of data.
 
There are four key problems a cheminformatics system solves:
Store a Molecule
  Computer scientists usually use the valence model of chemistry to represent compounds. Section 2, Representing Molecules, discusses this at length.
Find Exact Molecule
  If you ask, "Is Abraham Lincoln in the database?" it's not hard to find the answer. But, given a specific molecule, is it in the database? What do we know about it? This may seem seem simple at first glance, but it's not, as we'll see when we discuss tautomers, stereochemistry, metals, and other "flaws" in the valence model of chemistry.
Substructure Search
  If you ask, "Is anyone named Lincoln in the database?" you usually expect to find the former President and a number of others - this is called a search rather than a lookup. For a chemical informatics system, we have a substructure search: Find all molecules containing a partial molecule (the "substructure") drawn by the user. The substructure is usually a functional group, "scaffold", or core structure representing a class of molecules. This too is a hard problem, much harder than most text searches, for reasons that go to the very root of mathematics and the theory of computability.
Similarity Search
  Some databases can find similar-sounding or misspelled words, such as "Find Lincon" or "find Cincinati", which respectively might find Abraham Lincoln and Cincinnati. Many chemical information systems can find molecules similar to a given molecule, ranked by similarity.
The Chemoinformatics offers high-quality products and services in chemoinformatics area. The products leverage Aravinda's curation services to incorporate extensive curated databases with structured query modules and front-ends for data retrieval. Top pharmaceutical and biotech companies use these products to significantly improve their drug discovery process, specifically in the areas of lead identification.

Top pharmaceutical and biotech companies use these products to significantly improve their drug discovery process, specifically in the areas of lead identification. These products can be customized based on specific client requirements. arm can assist our clients in the integration of these products with existing client systems if required.
 
By using bioinformatics, which combines transdisciplinary approaches to information technology and biology, researchers at ARAVINDABIO interpret and apply vast amounts of biological data generated from basic research to some of today’s key challenges in the biomedical, environmental and agricultural sciences. Work at ARAVINDABIO involves collaboration in diverse disciplines such as mathematics, computer science, biology, plant pathology, biochemistry, systems biology, statistics, economics and synthetic biology.
The Institute develops Genomic, Proteomic and Bioinformatic Tools that can be applied to the study of infectious diseases as well as the discovery of new vaccine, Drug and Diagnostic targets.