ORganic VIrtual Library (ORVIL) –A COMBINATORIAL LIBRARY CONSTRUCTION BASED ON ORGANIC CONSTITUENTS AND WITHOUT SCAFFOLD HOPPING
Developed by
© PRASANTH VIRTUAL BIOINFO LAB.
You can access the abstract and full text article here : http://indianjournals.com/ijor.aspx?target=ijor:ijaritac&volume=2&issue=2&article=006
Abstract
Rapid construction of virtual combinatorial library is a prerequisite for in silico library enumeration and design. ORganic VIrtual Library (ORVIL) is a perl program to generate a combinatorial library using most frequently observed 200 organic substituents. It is designed to explore the organic chemical space in the given query structure without affecting the entire backbone of the molecule enabling minimum molecular complexities. Its particular features are its simplicity to use, portable SMILES format and high speed of library construction. Benchmarking of Tamoxifen (drug for breast cancer) was performed which revealed a compound having similar architecture of known drug analogue, Toremifene.
MANUAL:
You can download the manual here:
http://uploading.com/files/73891bb8/ORVIL%2BManual.ppt/
or read online (requires Java enabled browser)
You can download the manual here:
http://uploading.com/files/73891bb8/ORVIL%2BManual.ppt/
or read online (requires Java enabled browser)
FREE DOWNLOAD:
(DISTRIBUTED UNDER CREATIVE COMMON RIGHTS)
Kindly download the PERL Program along with the customizable library files and an example input file compressed here from this external mirror:
http://uploading.com/files/a49a99eb/ORVIL.zip/
{Program size: 2.33 KB }
FEEDBACKS/COMMENTS/QUERIES:
I value every feedback, comments to improve the program, queries and troubleshooting tips.
Just mail me at prasanthbioinformatics@gmail.com
