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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.
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 ]
A traditional method to evaluate druglikeness is to check compliance of Lipinski's rule of five, which covers the numbers of hydrophilic groups, molecular weight and hydrophobicity. Since the drug is transported in aqueous media like blood and intracellular fluid, it has to be sufficiently water-soluble in the absolute sense (i.e. must have a ...
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 ...
Olympic figure skater Tara Lipinski says she became aware of her body 'at a young age': 'My body was my tool for my career' Kerry Justich April 13, 2023 at 11:05 AM
The definitions of hydrogen bond donors and acceptors used to apply Lipinski's Rule of Five [6] are easily coded in SMARTS. Donors are defined as nitrogen or oxygen atoms that have at least one directly bonded hydrogen atom: [N,n,O;!H0] or [#7,#8;!H0] (aromatic oxygen cannot have a bonded hydrogen)
Johnny Weir and Tara Lipinski American Airlines flight 5342 collided with a U.S. Army Black Hawk helicopter over the Potomac River in the Washington, D.C. area on Wednesday, Jan. 29
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 ...