World Drug

In general, the first step in virtual screening is the filtering by the application of Lipinski s Rule of Five [20]. Lipinski s work was based on the results of profiling the calculated physical property data in a set of 2245 compounds chosen from the World Drug Index. Polymers, peptides, quaternary ammonium, and phosphates were removed from this data set. Statistical analysis of this data set showed that approximately 90% of the remaining compounds had ... 

United Nations on Dings and Crime (UNODC) (2008) World Drug Report 2008... 

WDl Derwent World Drug Index provided by Thomson Scientific, http // scientific.thomson. com / products /dwpi. 

Tab. 2.1. Number of ionizable drugs in World Drug Index 1999.

Numbers established via 2D search using Chem-X software of compounds listed in World Drug Index, 1999. With thanks to Tim Mitchell and Ryszard Koblecki, Millennium Pharmaceuticals Ltd., Cambridge, UK. 

Probably the most widely adopted and well-known method for estimating the likelihood of a compound (drug) being well absorbed is the rule-of-5 described by Lipinski and co-workers [1]. In analyzing 2245 compounds from the World Drug Index (WDI) database that were either considered for, or entered into, Phase II clinical trials, these authors developed the following rules ... 

Development of harmonized requirements for world drug registrations would be of considerable benefit to pharmaceutical companies and to patients, for whom many drugs would be available much more quickly. 

United Nations Office on Drugs and Crime, UNODC. World drug report 2009. Available at http //www.unodc.org/documents/wdrAVDR 2009AVDR2009 eng web.pdf... 

One of the simplest and most common ways to evaluate a molecule for ADME properties is a qualitative examination of its basic descriptor values such as molecular weight (MW), ClogP for lipophilicity, polar surface area (PSA), counts of hydrogen bond donors and acceptors (HBD, HBA), and count of rotatable bonds (RB). This type of approach popularized by Lipinski s famous Rule of 5 was published a decade ago [6]. Lipinski et al. established cutoffs for MW (500), ClogP (5), HBA (10), and HBD (5). These cutoffs were based on the 90th percentile of distributions of molecules in the World Drug Index having USAN or INN names. The Rule of 5 considers a violation of any two of these cutoffs to be an alert for poor absorption or permeability. 

World Business Council for Sustainable Development (WBCSD), 12 807 World Directory of Companies, 25 368 World Drug Alerts, 18 226, 236 World Energy Network (WE-NET),... 

Ross D. Quinone reductases multitasking in the metabolic world. Drug Metab Rev 2004 36(3-4) 639-654. 

WDI, the Derwent World Drug Index, is available from Daylight Chemical Information Systems, 2004, http //www.daylight.com/... 

Even unifying information about a very specific field such as the pharmacology of discrete drugs is a monumental task. The primary reason for this difficulty is the disparity of purpose between various information sources. Consider how different the purposes are ofWDI (World Drug Index) [20], PDR (Physician s Desk Reference) [21], MSDS (Material Safety Data Sheets) [22] and REG (Chemical Abstracts Registry) [23], each of which has a different natural data model. 

Most prediction tools for druglikeness use the MDL Available Chemicals Directory (ACD) [89] as a list of nondrugs and one of three databases as a list of drugs MDL Drug Data Report (MDDR) [89], MDL Comprehensive Medicinal Chemistry (CMC) [89], or Derwent World Drug Index (WDI) [90]. 

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