In this thesis we developed a statistical analysis of a set of data concerning the process of Lead Optimization in discovering new pharmaceutical drugs. In particular, we considered the following themes: 1) analysis of data on the configuration of the molecules; 2) classification of molecule populations for the identification specific behaviors; 3) clustering algorithms to find homogeneous groups of molecules using measures of similarity.
Statistical methods for Lead Optimization in drug discovery problems.
Cattapan, Marco
2014/2015
Abstract
In this thesis we developed a statistical analysis of a set of data concerning the process of Lead Optimization in discovering new pharmaceutical drugs. In particular, we considered the following themes: 1) analysis of data on the configuration of the molecules; 2) classification of molecule populations for the identification specific behaviors; 3) clustering algorithms to find homogeneous groups of molecules using measures of similarity.File in questo prodotto:
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Utilizza questo identificativo per citare o creare un link a questo documento:
https://hdl.handle.net/20.500.14247/5420