Adaptive least-squares classification applied to structure-activity correlation of antitumor mitomycin derivatives.
Adaptive least-squares classification applied to structure-activity correlation of antitumor mitomycin derivatives.
复制标题
自适应最小二乘分类应用于抗肿瘤丝裂霉素衍生物的结构-活性相关性。
DOI：
10.1248/cpb.25.2800
复制
发表时间：
1977
影响因子：
1.7
通讯作者：
K. Komatsu
中科院分区：
文献类型：
--
作者：
I. Moriguchi;K. Komatsu
已经开发出一种自适应最小二乘（ALS）分类，能够将化合物的结构与活性评级联系起来。 ALS 方法通过单个判别函数进行多类别模式分类决策。对于本研究中使用的属于 5 个活性类别的 16 种丝裂霉素衍生物组，与其他分类程序（例如简单最小二乘法、Rao 型判别分析和 K 最近邻法）相比，本方法被证明是有效的。
An adaptive least-squares (ALS) classification which is capable of relating structure to activity rating of chemical compounds has been developed. The ALS method makes decisions for multicategory pattern classification by a single discriminant function. For the set of 16 mitomycin derivatives belonging to five activity classes used in this study, the present method is shown to be efficacious compared to other classification procedures such as the simple least-squares method, the Rao-type discriminant analysis, and the K-nearest neighbor method.