title: QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity.
abstract: BACKGROUND
  Quantitative structure-activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail.
  
  
  METHODS
  In this review, the authors provide a detailed discussion of QSAR studies that have been applied to compounds with anticonvulsant activity published between the years 2003 and 2013. They also evaluate the mathematical approaches and the main software used to develop the QSAR and 3D-QSAR model.
  
  
  CONCLUSIONS
  QSAR methodologies continue to attract the attention of researchers and provide valuable information for the development of new potentially active compounds including those with anticonvulsant activity. This has been helped in part by improvements in the size and performance of computers; the development of specific software and the development of novel molecular descriptors, which have given rise to new and more predictive QSAR models. The extensive development of descriptors, and the way by which descriptor values are derived, have allowed the evolution of the QSAR methods. This evolution could strengthen the QSAR methods as an important tool in research and development of new and more potent anticonvulsant agents.
authors.affiliation: Universidad Nacional de San Luis, Area de Química Física, Facultad de Química, Bioquímica y Farmacia , Chacabuco 917, San Luis, 5700 , Argentina +54 2652 423789 Ext. 122 ; +54 2652 423789 ; jcgarro@unsl.edu.ar.
authors.forename: Juan C
authors.initials: JC
authors.lastname: Garro Martinez
authors.forename: Esteban G
authors.initials: EG
authors.lastname: Vega-Hissi
authors.forename: Matías F
authors.initials: MF
authors.lastname: Andrada
authors.forename: Mario R
authors.initials: MR
authors.lastname: Estrada
mesh_terms: D000927:Anticonvulsants / Q000737:chemistry* / Q000494:pharmacology; D003198:Computer Simulation; D015195:Drug Design; D008958:Models, Molecular; D015233:Models, Statistical; D021281:Quantitative Structure-Activity Relationship; D012984:Software
chemical_list: D000927:Anticonvulsants
keywords: anticonvulsant activity; quantitative structure–activity relationship and 3D-quantitative structure–activity relationship; review