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[2004-04-07] Upgrade of topomol program

Author
truepen
Date
2004-04-07 15:55
Views
63
This program can calculate 1807 molecular descriptors (2D:956, 3D 851).
  • Functional group descriptor (2D)
  • BCUT descriptor (2D)
  • Extended 2D autocorrelation descriptors
  • Electrostatic and Jurs descriptor (2D)
  • MPEOE partial charge descriptor (2D)
  • 3D geometric descriptors
  • 3D autocorrelation descriptors
  • 3D RDF descriptors
  • 3D MoRSE descriptor
  • 3D WHIM descriptors
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