Titre :	Computer-assisted lead finding and optimization: Current tools for medicinal chemistry
Type de document :	texte imprimé
Auteurs :	Han Van de Waterbeemd, Éditeur scientifique ; Bernard Testa, Éditeur scientifique ; Gerd Folkers, Éditeur scientifique
Editeur :	Zurich : Helvetica Chimica Acta
Année de publication :	1997
Autre Editeur :	Weinheim : Wiley-VCH
Importance :	553 p.
ISBN/ISSN/EAN :	978-3-906390-16-1
Langues :	Anglais (eng)
Tags :	COMPUTER-ASSISTED LEAD FINDING  MEDICINAL CHEMISTRY
Index. décimale :	EQ -Equipe-
Résumé :	"Computer-assisted techniques are well-integrated in modern drug discovery and used for the finding of new leads, the optimization of receptor or enzyme affinity, as well as of pharmacokinetic and physicochemical properties. In this book an account is found of current strategies used in computer-assisted drug design. Important topics include progress in chemometrics, molecular modeling and three-dimensional QSAR approaches. Relatively new mathematical methods such as genetic algorithms or artificial neural networks and fuzzy logic have found their application in rational molecular design. As is amply illustrated, based on recent developments in these disciplines, important progress has been made in lead finding strategies. This is of great importance to the pharmaceutical industry. Thus, all scientists investigating quantitative structure-activity relationships in their broadest sense, in medicinal, agricultural, or environmental chemistry will benefit from this book."
Cote :	LCC/K
Num_Inv :	2418

Computer-assisted lead finding and optimization: Current tools for medicinal chemistry [texte imprimé] / Han Van de Waterbeemd, Éditeur scientifique ; Bernard Testa, Éditeur scientifique ; Gerd Folkers, Éditeur scientifique . - Zurich : Helvetica Chimica Acta : Weinheim : Wiley-VCH, 1997 . - 553 p.
ISBN : 978-3-906390-16-1
Langues : Anglais (eng)

Tags :	COMPUTER-ASSISTED LEAD FINDING  MEDICINAL CHEMISTRY
Index. décimale :	EQ -Equipe-
Résumé :	"Computer-assisted techniques are well-integrated in modern drug discovery and used for the finding of new leads, the optimization of receptor or enzyme affinity, as well as of pharmacokinetic and physicochemical properties. In this book an account is found of current strategies used in computer-assisted drug design. Important topics include progress in chemometrics, molecular modeling and three-dimensional QSAR approaches. Relatively new mathematical methods such as genetic algorithms or artificial neural networks and fuzzy logic have found their application in rational molecular design. As is amply illustrated, based on recent developments in these disciplines, important progress has been made in lead finding strategies. This is of great importance to the pharmaceutical industry. Thus, all scientists investigating quantitative structure-activity relationships in their broadest sense, in medicinal, agricultural, or environmental chemistry will benefit from this book."
Cote :	LCC/K
Num_Inv :	2418