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학술발표회초록보기

초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

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  • 09월 04일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제114회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Nano-QSAR approach for predicting the metals toxicity to Daphnia magna

등록일
2014년 8월 28일 16시 17분 21초
접수번호
1212
발표코드
ENVR.P-1281 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 15일 (수요일) 16:00~19:00
발표형식
포스터
발표분야
환경에너지
저자 및
공동저자
박명규, 진은실, 이성광*
한남대학교 화학과, Korea
Nano-sized particles possess astonishing physical and chemical properties and have a number of fascinating potential applications in a wide range of industrial sectors such as electronics, magnetic and optoelectronics, biomedical, pharmaceutical, cosmetics, energy, environmental, catalytic, space technology and many others. However, since some nanoparticles can have a negative impact on human health and the environment, the design of nanoparticles should be always accompanied by a comprehensive nanosafety assessment. Thus, the development of model, complementary to experimentation, and sometimes even capable of replacing empirical testing, is of high interest. In this study using quantum-mechanical methods the calculations have been performed at the semi-empirical level of the theory for the 23 metals. The properties calculated from quantum-mechanical method were selected and model was developed using Multiple Linear Regression(MLR) and Support Vector Machine(SVM) method.

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