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New functions from old scaffolds : how nature reengineers enzymes for new functions
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Year: 2001

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Book
QSAR : mythe ou réalité
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Year: 2011 Publisher: Bruxelles: UCL,

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After a necessary introduction to replace the QSAR in its historical context and methodology, we try to evaluate its potential, limitations and the ways that are utilized nowadays. For this purpose, the European evaluation program of chemical safety (REACH) is used as a concrete example of opportunity for QSAR. The advantages and disadvantages associated to the QSAR use within REACH, will be judged both economically and ethically but foremost from the point of view of toxicology. Following this, we will try to explain and to objectify the poor results of QSAR that are often criticized and the highlight the recent efforts mad to correct them. The prediction accuracy and certainly of the chemical activity that use a simple equation stay a myth. But the utility of QSAR for some purposed is itself real. Après une brève introduction visant à situer le QSAR dans son contexte historique et méthodologique, nous tenterons d’évaluer son potentiel, ses limites et les manières dont les modèles sont actuellement mis à profit. Pour ce faire, le programme d’évaluation de la sureté des substances chimiques au sein de l’Union Européenne (REACH) est utilisé comme exemple concret et actuel de débouchés pour le QSAR. Les avantages et inconvénients étant associés à son utilisation au sein de REACH, seront jugés tant au point de vue économique qu’éthique et avant tout du point de vue toxicologique. Suite à cela, nous tenterons d’expliquer et d’objectiver le manque de résultats souvent reproché au QSAR et soulignerons les récents efforts réalisés pour y remédier. Si prédire avec exactitude et certitude l’activité d’une substance chimique à l’aide d’une simple équation reste confiné au domaine du mythe, l’utilité du QSAR à certaines fins est quant à elle bien réelle.


Article
Phosphatidylcholine-preferring phospholipase C from "B. cereus" : function, structure, and mechanism
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Year: 2001

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Cyclic nucleotide phosphodiesterases : relating structure and function
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Year: 2001

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Article
"Bacillus thuringiensis" insecticidal proteins : molecular mode of action
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Year: 1998

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Book
Structure-activity relationships for some conjugated heteroenoid compounds catechol monoethers and morphine alkaloids
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Year: 1975 Publisher: Ralston Defence research establishment Suffield

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Dissertation
Computer medicinal chemistry of aziridinylquinones
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ISBN: 9039302685 Year: 1993 Publisher: Utrecht Universiteit Utrecht

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Qsar in toxicology and xenobiochemistry : proceedings of a symposium, Prague, September 12-14, 1984, a satellite symposium to the 5th European symposium on chemical structure-biological activity, Bad Segeberg, September 17-21, 1984
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ISBN: 0444424830 Year: 1985 Volume: v. 8 Publisher: Amsterdam Oxford New York Elsevier

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Structure-activity relationships of protein and polypeptide hormones : proceedings of the second international symposium Liège, Sept. 28-Oct. 1, 1971
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ISBN: 9021901722 9789021901725 Year: 1972 Volume: 241 Publisher: Amsterdam : Excerpta medica,

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Book
Structure and function of membrane proteins : proceedings of the International Symposium on Structure and Function of Membrane Proteins held in Selva di Fasano (Italy), May 23-26, 1983
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ISBN: 0444805400 Year: 1983 Publisher: Amsterdam New York : New York, N.Y. : Elsevier Science Publishers Sole distributors for the USA and Canada, Elsevier Science Pub. Co.,

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