Prediction of Polymorphic Form from Experimental and Theoretical Data
Alrajeh, Abdullah (2009) Prediction of Polymorphic Form from Experimental and Theoretical Data. The University of Manchester, Department of Computer Science, Masters Thesis .
Some substances have the ability to exist in more than one crystal form which is called polymorphism. This phenomenon is commonly observed in the pharmaceutical industry as a result of its serious problems. Although the polymorphs of one substance are chemically identical, their properties might be different. This can affect how well a drug performs and also affect its stability in air, light or when compressed into a tablet. One of the major concerns in the industry is to find the right conditions that lead to a specific polymorph and they are currently unknown. Since the change in molecular level properties in a solution leads to different polymorphic forms, determining the pivotal properties that cause crystallisation of one polymorph over another is a key for understanding the causes of polymorphism and that the main focus of this research.
|Item Type:||Thesis (Masters)|
|Keywords:||machine learning, feature selection, polymorphism|
|Divisions:||Faculty of Physical and Applied Science > Electronics and Computer Science > Comms, Signal Processing & Control
Faculty of Physical and Applied Science > Electronics and Computer Science
|Date Deposited:||04 Apr 2011 22:10|
|Last Modified:||02 Mar 2012 07:58|
|Contributors:||Alrajeh, Abdullah (Author)
|Further Information:||Google Scholar|
|RDF:||RDF+N-Triples, RDF+N3, RDF+XML, Browse.|
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