Earticle

초록

영어

The purpose of this study, when predicting acute oral toxicity using QSAR software, the reliability of the predicted values was studied according to a single functional group or multiple functional groups within a single chemical. Acute oral toxicity is predicted using EPA T.E.S.T S/W for chemicals registered in ChemIDplus. The effect of a combination of specific functional periods on the degree of consistency of predicted values was studied. When some specific functional groups (combinations) exist, it was confirmed that the experimental and predicted values were high and low. It was confirmed that the prediction accuracy was high when the Anion group and the Halogen group were together, and the perdiction accuracy was significantly low when the Nitrile group was present. As a result of accumulating such data and showing reliability in predicting acute oral toxicity with EPA T.E.S.T S/W for 10 SVHC substances without experimental values, the matching rate was derived from at least 0% to 73.33%. It was confirmed that there was some tendency of the QSAR prediction value according to the combination of specific complex functional groups. When 10 SVHC substances without experimental data were predicted to be toxic through T.E.S.T S/W by quantitatively databaseizing the above tendency, 0~73.33% of the results were derived as a result of showing the realiability of the program prediction

목차

Abstract
1. 서론
2. 연구방법
2.1 연구대상물질 선정
2.2 연구방법
2.3 분석방법
3. 연구결과
3.1 독성수준 및 일치도 분류
3.2 기능기 분석 결과
3.3 SVHC 후보물질 적용 결과
4. 고찰
5. 결론
6. References

키워드

저자

• 박승주 [ Seoung-Ju Park | 인하대학교 순환경제환경시스템-환경안전공학전공 ]
• 김홍관 [ Hong-Kwan Kim | 인하대학교 순환경제환경시스템-환경안전공학전공 ]
• 김덕한 [ Duk-Han Kim | 인하대학교 순환경제환경시스템-환경안전공학전공 ]
• 천영우 [ Young-Woo Chon | 인하대학교 순환경제환경시스템-환경안전공학전공 ] Corresponding Author

참고문헌

발행기관

간행물

표지보기 관심저널 등록

• 간행물명

  대한안전경영과학회지 [Journal of Korea Safety Management & Science]

• 간기

  계간

• pISSN

  1229-6783

• eISSN

  2288-1484

• 수록기간

  1999~2025

• 십진분류

  KDC 530 DDC 620