A Fragmental Code Usable for Automatic Attribution of Lipophilicity Atomic Constants
- 1 January 1991
- journal article
- research article
- Published by Wiley in Quantitative Structure-Activity Relationships
- Vol. 10 (3) , 211-215
- https://doi.org/10.1002/qsar.19910100306
Abstract
A flow chart is described for building a fragmental code including the same information as that contained in the fragmental graph defined by Broto and Coll. A method is then computed to automatically attribute the lipophilicity fragmental constants. This very fast method may be used to establish the Molecular Lipophilicity Potential or Autocorrelation Lipophilicity Vector, and to calculate the log P of a molecule.Keywords
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