PaDEL‐DDPredictor: Open‐source software for PD‐PK‐T prediction. Issue 7 (1st November 2012)

• Record Type: Journal Article
• Authors: He, Yuye; Liew, Chin Yee; Sharma, Nitin; Woo, Sze Kwang; Chau, Yi Ting; Yap, Chun Wei
• Is Part Of: Journal of computational chemistry. Volume 34:Issue 7(2013)
• Page Start: 604
• Page End: 610
• Publication Date: 2012-11-01
• Subjects: Chemistry -- Data processing -- Periodicals; 542.85
• DOI: 10.1002/jcc.23173
• Languages: English
• ISSNs: 0192-8651

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>ADMET (absorption, distribution, metabolism, excretion, and toxicity)‐related failure of drug candidates is a major issue for the pharmaceutical industry today. Prediction of PD‐PK‐T properties using <italic>in silico</italic> tools has become very important in pharmaceutical research to reduce cost and enhance efficiency. PaDEL‐DDPredictor is an <italic>in silico</italic> tool for rapid prediction of PD‐PK‐T properties of compounds from their chemical structures. It is free and open‐source software that, has both graphical user interface and command line interface, can work on all major platforms (Windows, Linux, and MacOS) and supports more than 90 different molecular file formats. The software can be downloaded from http://padel.nus.edu.sg/software/padelddpredictor. © 2012 Wiley Periodicals, Inc.</p> </abstract>