Ep. Jaeger et al., STRUCTURE-ACTIVITY RELATIONSHIP STUDIES OF RETINOID CANCER INHIBITION, European journal of medicinal chemistry, 28(4), 1993, pp. 275-290
A structure-activity relationship (SAR) is described between 152 retin
oid structures and their biological activity in an in vitro test that
correlates with cancer prophylaxis. Using 18 molecular features, multi
variate analysis was used to build and evaluate an SAR that correctly
classified 94% of the 152 structures. Blind studies correctly predicte
d the biological activities of 17 of 19 new compounds (89%).