Skip to main content
. 2010 Nov 26;25(3):197–201. doi: 10.1007/s10822-010-9403-z

Table 1.

Outcomes of make-and-test applications of topomer CoMFA by four discovery organizations

Ref. TopCoMFA model properties Make-&-test outcomes
q2 SD # Comp N pIC50 range # Predicted pIC50 SDEP N top pIC50 quartile
[9] 0.220 0.66 3 122 3.3–7.3 7 0.54 2
[10] 0.593 0.49 8 270 4.2–8.8 2 0.36 2
[11] 0.518 0.63 5 358 NA 44 0.69 Most
NA 0.342 0.95 7 206 4.3–8.0 87 0.48 19
Total/Average 140 0.51

See text for explanation