Article:fpbg99

From Open Babel

@article{fpbg99, 
  author = {Dmitrii Filimonov, Vladimir Poroikov, Yulia Borodina, and Tatyana Gloriozova}, 
  title = {Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with 
           the Other Descriptors}, 
  journal = {Journal of Chemical Information and Computer Sciences}, 
  year = {1999}, 
  volume = {39},
  pages = {666-670},
  abstract = {A new method for assessment of molecular similarity based on original description of chemical 
              structure is discussed. The accuracy of similarity assessment obtained with this method is compared 
              with that of the results of four other approaches. The same evaluation set is used to predict: (a) 
              boiling point of 139 hydrocarbons and (b) mutagenicity of 15 nitrosamines. The results show that the 
              proposed method provides reasonable appraisal for both properties, but prediction of mutagenicity is 
              more accurate in this method as compared to the alternatives.},
  doi = {10.1021/ci980335o} 
}