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PHARMACOINFORMATICS: Revolutionizing drug discovery research






In silico ADME-Tox Prediction




As mentioned previously, drug discovery is a complex and risky treasure hunt to find the most efficacious molecule which do not have toxic effects but at the same time have desired pharmacokinetic profile. The hunt starts when the researchers look for the binding affinity of the molecule to its target. Huge amount of research requires to be done to come out with a molecule which has the reliable binding profile. Once the molecules have been identified, as per the traditional methodologies, the molecule is further subjected to optimization with the aim of improving efficacy. The molecules which show better binding is then evaluated for its toxicity and pharmacokinetic profiles. It is at this stage that most of the candidates fail in the race to become a successful drug.


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Developed and maintained by Kiran V. M. Last Update June 2005