Dimoglo A S, Chumakov Y M, Dobrova B N, Saracoglu M
Institute of Chemistry, Academy of Sciences, Kishinev, Moldova.
Arzneimittelforschung. 1997 Apr;47(4):415-9.
In the frameworks of the electron-topological method (ETM) the structure-antitumor activity relationship was investigated for a series of thiosemicarbazone derivatives. The series included 70 compounds. Conformational analysis and quantum-chemical calculations were carried out for each compound. The revealed activity feature showed a satisfactory description of the class of active compounds according to two different parameters P and alpha estimating the probabilities of the feature realization 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.
在电子拓扑方法（ETM）的框架内，研究了一系列硫代半卡巴腙衍生物的结构-抗肿瘤活性关系。该系列包括70种化合物。对每种化合物进行了构象分析和量子化学计算。根据估计活性化合物类别中特征实现概率的两个不同参数P和α，所揭示的活性特征对活性化合物类别给出了令人满意的描述（它们分别等于0.94和0.86）。测试结果表明ETM在预测所研究的活性方面具有很高的能力。
