2006.09.30 : Added several kinds of descriptors

  • No. of rings from 3 to 7
  • No. of bond types
  • Addition P+ type having valence 4 of polar surface area
  • Estate sum of all, heavy, hetero, Max. and Min Estate value, distance between Max and Min Estate values
  • Fraction of VSA Hbond acceptor, donor, (+) and (-) chargable groups