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3D-QSAR tools for the structure-activity analisys of single site polymerization catalysts

AuthorsCruz, Víctor L. ; Ramos, Javier ; Martínez-Salazar, Javier
Issue Date22-Nov-2009
CitationConference on Polymers and Advanced Materials POLYMAT (2009)
AbstractThe knowledge of structure-activity relationships is important to design more efficient catalyst systems. We present a well-established statistical technique known as 3D-QSAR1 aimed to find quantitative structure-activity relationships. This tool has been successfully used in the field of drug design and we have pioneered its application to single site polymerization catalysts2. We describe in some detail the main steps performed in the application of the 3D-QSAR methodology to the single site catalyst case. Then we review the main results obtained in our group with this chemometric technique in the case of metallocene and post-metallocene catalysts in olefin polymerization.3
DescriptionConferencia invitada; Huatulco Oaxaca, Mexico, November 22th-26th, 2009
Appears in Collections:(CFMAC-IEM) Comunicaciones congresos
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