CHEMTECH

May 1997

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Copyright © 1997 by the American Chemical Society.

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Table 2. Neighborhood behavior of metrics

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Molecular fields

Result	2D	AP	Steric	H-bonded	Autocorrelation	Connectivity indicesa	ClogPb	CMRb
Validc	17	5	13	13	5	1	0	0
Failed	3	15	7	3d	15	17d	19d	20
% Valid	85	25	65	81	25	6	0	0
Mean 2	42.27	7.88	20.03	24.93	3.95	0.06	0.59	0.56

ClogP, log of the calculated partition coefficient; CMR, calculated molar refractivity.
^aPath (0-6) and cluster (3-5) Cls over both sp ³ and valence-adjusted skeletons plus sums and differences.
^bSoftware is available from BioByte Inc., Pomona, CA.
^cCutoff at P > 0.95, ² (1 df) > 3.84.
^dUsable metrics could not be calculated for some of the 20 data sets.
Source: Reference 22.

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