일련의 새로운 cyclohexanone 유도체(5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hy-droxycyclohex-2-en-1-ones)와 벼(Oryza sativa L.) 및 돌피(Echinochloa crus-galli)에 대한 제초활성과의 정량적인 구조-활성관계(QSARs)를 2D-QSAR 및 HQSAR 방법으로 검토하였다. 일반적으로 HQSAR 모델이 2D-QSAR 모델보다 예측성과 적합성이 좋았다. 2D-QSAR II 모델로부터 돌피의 제초활성은 분자의 Balaban 지수(BI)와 $R_1$ 및 $R_3$-기의 소수성에 의존적이었다. 또한, HQSAR IV 모델에 따라 $R_3=ethyl$ 기가 벼의 제초활성에 기여하는 반면에 5-(cyclohex-3-enyl)-2,3-dihydrobenzofuran 고리 부분은 두 초종의 제초활성에 기여하지 않았다.
QSARs (Quantitative structure-activity relationships) between a series of new cyclohexanedione derivatives (5-benzofuryl-2-[1-(alkoxyimino)-alkyl]-3-hydroxycyclohex-2-en-1-ones) and their herbicidal activity against Rice plant (Oryza sativa L.) and Barnyard grass (Echinochloa crus-galli.) were discussed quantitatively using 2D-QSAR and holographic (H) QSAR methods. Generally, the HQSAR models have better predictability and fitness than the 2D-QSAR models. The herbicidal activities against Barnyard grass with 2D-QSAR II model were dependent upon Balaban indice (BI) of molecule and hydrophobicity of $R_1$ and $R_3$ group. And also, the $R_3=ethyl$ group, according to the information of the optimized HQSAR IV model, was more contribute to the herbicidal activities against Rice plant, while the 5-(cyclohex-3-enyl)-2,3-dihydrobenzofuran ring part was not contribute to the herbicidal activities against two plants.
