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	STUDIA CHEMIA - Issue no. 1 / 2016

	Article:	QSAR STUDY OF PHENOTHIAZINES. Authors: .


	Abstract: A QSAR study on a set of 30 phenothiazines performed within a hypermolecule frame, to model their logP and LD₅0 values, is reported. The initial set of molecules was split into a training set and the test set; Cluj topological indices and some quantum mechanical descriptors have been used to derive the models, which were next tested for predictability by LOO, external validation and similarity clustering. Key words: phenothiazine, hypermolecule, LD₅₀, logP, topological indices.




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