[id] => 85
[recorddate] => 2007:01:14:15:41:00
[lastupdate] => 2007:01:14:15:43:48
[type] => conference
[place] => Timisoara, Romania
[subject] => chemistry - computational; informatics - applied; mathematics - statistics; medicine - immunology; medicine - informatics
[relatedworks] =>
• 4 (some):
  • Modeling Analysis of Amino Acids Hydrophobicity, ?id=162
  • Structure Activity Relationships of Taxoids therein Molecular Descriptors Family Approach, ?id=179
[file] => ?f=85
[mime] => application/pdf
[size] => 534571
[pubname] => Integrating Biomedical Information: From eCell to ePatient
[pubinfo] => European Federation for Medical Informatics
[pubkey] => ISBN 3-89838-0722-6 (Aka, Germany), ISBN 1-58603-614-9 (IOS Press, Holland), ISBN 973-625-303-1 (Politehnica Timişoara, Romania)
[workinfo] => p. 110-114, April 6-8
[year] => 2006
[title] => Molecular Descriptors Family on Structure-Activity Relationships on anti-HIV-1 Potencies of HEPTA and TIBO Derivatives
[authors] => Sorana Daniela BOLBOACĂ, Ştefan ŢIGAN, Lorentz JÄNTSCHI
[abstract] =>
A new developed methodology of Structure-Activity Relationships (SAR) was applied on a set of 57 compounds with known inhibition activity of immunodeficiency virus type 1. The methodology uses an original family of molecular structure descriptors called Molecular Descriptors Family. With a set of multiple linear regression analysis programs, the whole set of MDF members were crossed in order to find the best SAR model. The obtained model allows making important remarks on structure-activity links. The disadvantage of time consuming to analyze the entire set of descriptors is compensated by better structure-activity relationships.
[keywords] => HIV-1 inhibitors; Structure Activity Relationships (SAR); Molecular Descriptors Family (MDF)
[acknowledgment] => Authors are grateful to Prof. Dr. George MIHALAS for appreciation at real value of this paper and presentation during the conference.