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[2004-04-07] Upgrade of topomol program

Author

truepen

Date

2004-04-07 15:55

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11

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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