The Prediction of Molecular Properties Using Similarity Searching and Free-Wilson Analysis
The overall aim of this thesis is to predict biological properties of molecules. The thesis first reports on the use of similarity searching for property prediction. The predictions were made by taking the value of a compound's k-nearest neighbours found from a similarity search. The initial wo...
| Main Author: | |
|---|---|
| Published: |
University of Sheffield
2008
|
| Subjects: | |
| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489669 |