2018 年 76 巻 10 号 p. 1102-1109
The compound libraries visualized by organic chemists do not conform with those by biologists. Biologists prefer libraries that contain diverse “drug-like” compounds. In this article, we have introduced a method for constructing compound libraries with drug-likeness and diversity by utilizing “drug-likeness indexes”. The indexes are useful for the quantification of structural features of compounds and for the design of diverse-orientated libraries. In addition, we characterized natural products through the use of drug-likeness indexes, and described the usage of those for library constructions.