The STUDIA UNIVERSITATIS BABE┼×-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

    STUDIA CHEMIA - Issue no. 1 / 2016  

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.
      Back to previous page