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.
journal_name
Drug Discov Todayjournal_title
Drug discovery todayauthors
Geldenhuys WJ,Gaasch KE,Watson M,Allen DD,Van der Schyf CJdoi
10.1016/S1359-6446(05)03692-5subject
Has Abstractpub_date
2006-02-01 00:00:00pages
127-32issue
3-4eissn
1359-6446issn
1878-5832pii
S1359-6446(05)03692-5journal_volume
11pub_type
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journal_title:Drug discovery today
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