As. Dimoglo et al., ELECTRON-TOPOLOGICAL INVESTIGATION OF THE STRUCTURE-ANTITUMOR ACTIVITY RELATIONSHIP OF THIOSEMICARBAZONE DERIVATIVES, Arzneimittel-Forschung, 47(4), 1997, pp. 415-419
In the frameworks of the electron-topological method (ETM) the structu
re-antitumor activity relationship was investigated for a series of th
iosemicarbazone derivatives. The series included 70 compounds. Conform
ational analysis and quantum-chemical calculations were carried out fo
r each compound. The revealed activity feature showed a satisfactory d
escription of the class of active compounds according to two different
parameters P and alpha estimating the probabilities of the feature re
alization in the class of active compounds (they are equal to 0.94 and
0.86, correspondingly). The results of testing demonstrated the high
ability of ETM in predicting the activity investigated.