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Tesi etd-04272006-134142


Tipo di tesi
Tesi di dottorato di ricerca
Autore
Borghini, Alice
Indirizzo email
aliceborghini1974@yahoo.it
URN
etd-04272006-134142
Titolo
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
Relatori
relatore Dott.ssa Bianucci, Anna Maria
Parole chiave
  • adenosine receptor antagonists
  • model validation
  • QSAR
  • training set selection
Data inizio appello
26/06/2006
Consultabilità
Completa
Riassunto
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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