4.  IRS a Computer Program Package for QSAR and QSPR Studies

Authors: Ciprian Ciubotariu, Mihai Medeleanu, Dan Ciubotariu


Abstract:

This paper is the first in a possible series dedicated to molecular modelling techniques that describes a computer package: IRS Investigation of Receptor Space. The aim of this package is to integrate various techniques of molecular modelling used in QSPR (quantitative structure properties relationship) and its biological activity component QSAR (quantitative structure activity relationship). The results offered by a large number of free and commercial programs will be used to explain properties and mechanisms, but also to predict properties for new possibly synthesised compounds.


Keywords: Investigation of Receptor Space, QSAR, QSPR, algorithm

PDF Version

 
 
Issues

Articles in Press
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2016
Volume 61(75), Issue 2, 2016
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2016
Volume 61(75), Issue 1, 2016
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2015
Volume 60(74), Issue 2, 2015
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2015
Volume 60(74), Issue 1, 2015
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2014
Volume 59(73), Issue 2, 2014
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2014
Volume 59(73), Issue 1, 2014
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2013
Volume 58(72), Issue 2, 2013
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2013
Volume 58(72), Issue 1, 2013
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2012
Volume 57(71), Issue 2, 2012
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2012
Volume 57(71), Issue 1, 2012
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2011
Volume 56(70), Issue 2, 2011
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2011
Volume 56(70), Issue 1, 2011
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2010
Volume 55(69), Issue 2, 2010
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2010
Volume 55(69), Issue 1, 2010
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2009
Volume 54(68), Issue 2, 2009
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2009
Volume 54(68), Issue 1, 2009
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2008
Volume 53(67), Issue 1 - 2, 2008
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2007
Volume 52(66), Issue 1 - 2, 2007
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2006
Volume 51(65), Item 1 - 2, 2006
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)


2005
Volume 50(64), Item 1 - 2, 2005
Chem. Bull. `POLITEHNICA` Univ. (Timisoara)



   
 
 
  © 2017 Industrial Chemistry and Environmental Engineering Faculty