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Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would likely make it an orally active drug in humans.
The Supercomputing Facility for Bioinformatics and Computational Biology, (SCFBio), IIT Delhi, was established in July 2002 with funding from Department of Biotechnology under the guidance of Prof. B. Jayaram. It aims at developing novel scientific methods and new software for genome analysis, protein structure prediction, and in silico drug ...
Christopher A. Lipinski is a medicinal chemist who is working at Pfizer, Inc. [1] He is known for his "rule of five" , an algorithm that predicts drug compounds that are likely to have oral activity. [ 1 ]
Created Date: 8/30/2012 4:52:52 PM
[citation needed] The great majority of drugs on the market have molecular weights between 200 and 600 daltons, and particularly <500; [3] [4] they belong to the group of small molecules. A traditional method to evaluate druglikeness is to check compliance of Lipinski's rule of five , which covers the numbers of hydrophilic groups, molecular ...
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PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).
There are no rigorous methods for determining the precise size of this space. The assumptions [3] used for estimating the number of potential pharmacologically active molecules, however, use the Lipinski rules, in particular the molecular weight limit of 500. The estimate also restricts the chemical elements used to be Carbon, Hydrogen, Oxygen ...