A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis

Afantitis, A; Melagraki, G; Sarimveis, H; Koutentis, PA; Markopoulos, J; Igglessi-Markopoulou, O

dc.contributor.author	Afantitis, A	en
dc.contributor.author	Melagraki, G	en
dc.contributor.author	Sarimveis, H	en
dc.contributor.author	Koutentis, PA	en
dc.contributor.author	Markopoulos, J	en
dc.contributor.author	Igglessi-Markopoulou, O	en
dc.date.accessioned	2014-03-01T01:23:27Z
dc.date.available	2014-03-01T01:23:27Z
dc.date.issued	2006	en
dc.identifier.issn	1381-1991	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/16976
dc.subject	Anti-HIV	en
dc.subject	HEPT derivatives	en
dc.subject	MLR	en
dc.subject	QSAR	en
dc.subject	Stepwise regression	en
dc.subject.classification	Biochemistry & Molecular Biology	en
dc.subject.classification	Chemistry, Applied	en
dc.subject.classification	Chemistry, Medicinal	en
dc.subject.classification	Chemistry, Multidisciplinary	en
dc.subject.other	1 [(2 hydroxyethoxy)methyl] 6 (phenylthio)thymine	en
dc.subject.other	1 [(2 hydroxyethoxy)methyl] 6 (phenylthio)thymine derivative	en
dc.subject.other	unclassified drug	en
dc.subject.other	accuracy	en
dc.subject.other	antiviral activity	en
dc.subject.other	article	en
dc.subject.other	drug structure	en
dc.subject.other	Human immunodeficiency virus	en
dc.subject.other	mathematical model	en
dc.subject.other	multiple linear regression analysis	en
dc.subject.other	prediction	en
dc.subject.other	priority journal	en
dc.subject.other	quantitative structure activity relation	en
dc.subject.other	step wise multiple regression	en
dc.subject.other	Anti-HIV Agents	en
dc.subject.other	HIV-1	en
dc.subject.other	HIV-1 Reverse Transcriptase	en
dc.subject.other	Humans	en
dc.subject.other	Linear Models	en
dc.subject.other	Neural Networks (Computer)	en
dc.subject.other	Quantitative Structure-Activity Relationship	en
dc.subject.other	Reverse Transcriptase Inhibitors	en
dc.subject.other	Thymine	en
dc.title	A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis	en
heal.type	journalArticle	en
heal.identifier.primary	10.1007/s11030-005-9012-2	en
heal.identifier.secondary	http://dx.doi.org/10.1007/s11030-005-9012-2	en
heal.language	English	en
heal.publicationDate	2006	en
heal.abstract	A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl] -6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV activity. For the selection of the best among 37 different descriptors, the Elimination Selection Stepwise Regression Method (ES-SWR) was utilized. The resulting QSAR model (RCV2 = 0.8160; SPRESS = 0.5680) proved to be very accurate both in training and predictive stages. © Springer 2006.	en
heal.publisher	SPRINGER	en
heal.journalName	Molecular Diversity	en
dc.identifier.doi	10.1007/s11030-005-9012-2	en
dc.identifier.isi	ISI:000242137600012	en
dc.identifier.volume	10	en
dc.identifier.issue	3	en
dc.identifier.spage	405	en
dc.identifier.epage	414	en