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- NAME OF DATA SET: SELWOOD
- 53 PROPERTIES (x variables)
- 31 OBJECTS (n compounds)
- SOURCE: H. Kubinyi, J. Chemometrics 1996, 10, 119-133
- ORIGINAL REFERENCE: D. L. Selwood, D. J. Livingstone,
J. C. W. Comley, A. B. O'Dowd, A. T. Hudson, P. Jackson, K. S. Jandu, V. S.
Rose, and J. N. Stables, J. Med. Chem. 33, 136 - 142 (1990)
- REMARKS: - see also:
J. Wikel and E. Dow, Bioorg. Med. Chem. Lett. 3, 645 - 651 (1993)
J. W. McFarland and D. J. Gans, Quant. Struct.-Act. Relat. 13, 11 - 17 (1994)
D. Rogers and A. J. Hopfinger, J. Chem. Inf. Comput. Sci. 34, 854 - 866 (1994)
H. Kubinyi, Quant. Struct.-Act. Relat. 13, 285 - 294 (1994)
H. Kubinyi, Quant. Struct.-Act. Relat. 13, 393 - 401 (1994)
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- THE DATA: 31 compounds, 53 variables -
distributed in 5 tables with the columns
 | Compound, Activity, ATCH1, ATCH2, ATCH3, ATCH4, ATCH5,
ATCH6, ATCH7, ATCH8, ATCH9 here |
| Compound, ATCH10, DIPV_X, DIPV_Y, DIPV_Z, DIPMOM, ESDL1,
ESDL2, ESDL3, ESDL4, ESDL5, ESDL6 here |
| Compound, ESDL7, ESDL8, ESDL9, ESDL10, NSDL1, NSDL2, NSDL3,
NSDL4, NSDL5, NSDL6 NSDL7 here |
| Compound, NSDL8, NSDL9, NSDL10, VDWVOL, SURF_A, MOFI_X,
MOFI_Y, MOFI_Z, PEAX_X, PEAX_Y, PEAX_Z here |
| Compound, MOL_WT, S8_1DX, S8_1DY, S8_1DZ, S8_1CX, S8_1CY,
S8_1CZ, LOGP M_PNT, SUM_F, SUM_R here |
OTHER FORMATS: text file (comma delimited), MS
Excel
file
Last updated: March 15, 2001
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