eprintid: 1039
rev_number: 8
eprint_status: archive
userid: 6
dir: disk0/00/00/10/39
datestamp: 2011-12-06 13:27:59
lastmod: 2011-12-06 13:27:59
status_changed: 2011-12-06 13:27:59
type: conference_item
metadata_visibility: show
creators_name: Patrinos, Panagiotis
creators_name: Alexandridis, Alex
creators_name: Afantitis, Antreas
creators_name: Sarimveis, Haralambos
creators_name: Igglesi-Markopoulou, Olga
creators_id: panagiotis.patrinos@imtlucca.it
creators_id: 
creators_id: 
creators_id: 
creators_id: 
title: Development of nonlinear quantitative structure-activity relationships using RBF networks and evolutionary computing
ispublished: unpub
subjects: QA
subjects: QA76
divisions: CSA
full_text_status: none
pres_type: paper
keywords: Radial Basis Functions, QSAR, Neural Networks, Evolutionary Computing, Genetic Algorithms, Simulating Annealing
abstract: Quantitative Structure Activity Relationships (QSARs) are mathematical models that correlate structural or property descriptions of compounds (hydrophobicity, topology, electronic properties etc.) with activities, such as chemical measurements and biological assays. In this paper we propose a modeling methodology suitable for QSAR studies which selects the proper descriptors based on evolutionary computing and finally produces Radial Basis Function (RBF) neural network models. The method is successfully applied to the benchmark Selwood data set.
date: 2004
event_title: European Symposium on Computer Aided Process Engineering, ESCAPE14
event_location: Lisbon, Portugal
event_dates: 16th-19th May 2004
event_type: conference
refereed: TRUE
official_url: http://www.deb.uminho.pt/escape14/PDFs/PPDp011.pdf
related_url_url: http://www.deb.uminho.pt/escape14/
related_url_type: org
citation:   Patrinos, Panagiotis and Alexandridis, Alex and Afantitis, Antreas and Sarimveis, Haralambos and Igglesi-Markopoulou, Olga  Development of nonlinear quantitative structure-activity relationships using RBF networks and evolutionary computing.  In: European Symposium on Computer Aided Process Engineering, ESCAPE14, 16th-19th May 2004, Lisbon, Portugal       (Unpublished)   (2004)