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Digital archive of theses discussed at the University of Pisa

 

Thesis etd-04272006-134142


Thesis type
Tesi di dottorato di ricerca
Author
Borghini, Alice
email address
aliceborghini1974@yahoo.it
URN
etd-04272006-134142
Thesis title
New Strategies in Quantitative Structure-Activity Relationships. Applications to Adenosine Receptor Ligands
Academic discipline
CHIM/08
Course of study
SCIENZA DEL FARMACO E DELLE SOSTANZE BIOATTIVE
Supervisors
relatore Dott.ssa Bianucci, Anna Maria
Keywords
  • adenosine receptor antagonists
  • model validation
  • QSAR
  • training set selection
Graduation session start date
26/06/2006
Availability
Full
Summary
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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