From Open Babel
Revision as of 13:25, 1 April 2006 by Joerg Kurt Wegner (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
 author = {W. J. Geldenhuys and K. E. Gaasch and M. Watson and D. D. Allen and 
       C. J. Van der Schyf}, 
 title = {{O}ptimizing the use of open-source software applications in drug 
 journal = {Drug Discov. Today}, 
 year = {2006}, 
 volume = {11}, 
 pages = {127--132}, 
 number = {3-4}, 
 month = {Feb}, 
 abstract = {Drug discovery is a time consuming and costly process. Recently, a 
       trend towards the use of in silico computational chemistry and molecular 
       modeling for computer-aided drug design has gained significant momentum. 
       This review investigates the application of free and/or open-source 
       software in the drug discovery process. Among the reviewed software 
       programs are applications programmed in JAVA, Perl and Python, as 
       well as resources including software libraries. These programs might 
       be useful for cheminformatics approaches to drug discovery, including 
       QSAR studies, energy minimization and docking studies in drug design 
       endeavors. Furthermore, this review explores options for integrating 
       available computer modeling open-source software applications in 
       drug discovery programs.}, 
 doi = {10.1016/S1359-6446(05)03692-5}, 
 pii = {S1359-6446(05)03692-5}, 
 pmid = {16533710},