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Tesi etd-04272006-134142


Thesis type
Tesi di dottorato di ricerca
Author
Borghini, Alice
email address
aliceborghini1974@yahoo.it
URN
etd-04272006-134142
Title
New Strategies in Quantitative Structure-Activity Relationships. Applications to Adenosine Receptor Ligands
Settore scientifico disciplinare
CHIM/08
Corso di studi
SCIENZA DEL FARMACO E DELLE SOSTANZE BIOATTIVE
Commissione
relatore Dott.ssa Bianucci, Anna Maria
Parole chiave
  • QSAR
  • model validation
  • adenosine receptor antagonists
  • training set selection
Data inizio appello
26/06/2006;
Consultabilità
completa
Riassunto analitico
Over the last years, an increasing number of applications of QSAR (Quantitative Structure-Activity Relationships) appeared in the literature, not only in lead finding and lead optimization, but also in other fields related to drug discovery, such as ADMET predictions. Neverthless, many questions are still open and they supplied the starting point of this research. Attention was focused on characteristics usually intended as “pitfalls” of QSAR itself. In this work, each step of the QSAR model development process was handled with a rational and rigorous approach, and the classic QSAR strategies were implemented with new protocols
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