Chemoinformatics
RTI is a leader in chemoinformatics, an information technology for building electronic databases that describe the chemical and biological properties and effects of large numbers of compounds. These databases allow graphic and other visual information about chemical structures to be directly linked with the very large amount of both raw and processed data provided by medicinal, pharmaceutical, and other fields of research.
Taking advantage of our computational chemistry resources to help build chemical libraries and databases, RTI chemists use chemoinformatics to allow researchers from different disciplines -- including synthetic chemists, medicinal chemists, pharmacologists, and biochemists -- to cooperate by searching, sharing, and viewing this accumulated graphic and descriptive information. Chemoinformatic databases allow us to mine very large datasets of chemical and biological information and look for new drug leads or drug design ideas, thereby speeding the discovery and development of new drugs.
Our chemists are currently collaborating with our engineers and computer scientists to create a new, large-scale chemoinformatics database system. When complete, the system will effectively capture the chemical and physical data from more than 30 years of synthetic and natural products chemistry at RTI.
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