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ChemMedChem is a biweekly peer-reviewed scientific journal covering medicinal chemistry.It is published by Wiley-VCH on behalf of Chemistry Europe.In addition to original research in the form of full papers and shorter communications, the journal contains review-type articles (reviews, minireviews, patent reviews, essays, highlights) as well as occasional book reviews and conference reports.
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.
Chemistry portal; Medicine portal; MedChemComm (in full: Medicinal Chemistry Communications) is a peer-reviewed scientific journal publishing original (primary) research and review articles on all aspects of medicinal chemistry, including drug discovery, pharmacology and pharmaceutical chemistry.
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.
Medicinal or pharmaceutical chemistry is a scientific discipline at the intersection of chemistry and pharmacy involved with designing and developing pharmaceutical drugs. Medicinal chemistry involves the identification, synthesis and development of new chemical entities suitable for therapeutic use.
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Despite the rise of combinatorial chemistry as an integral part of lead discovery process, natural products still play a major role as starting material for drug discovery. [56] A 2007 report [ 57 ] found that of the 974 small molecule new chemical entities developed between 1981 and 2006, 63% were natural derived or semisynthetic derivatives ...
Drug discovery often involves the use of QSAR to identify chemical structures that could have good inhibitory effects on specific targets and have low toxicity (non-specific activity). Of special interest is the prediction of partition coefficient log P , which is an important measure used in identifying " druglikeness " according to Lipinski's ...