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  • 08월 24일 19시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Recursive Partitioning Modelling for Apparent Volume of Distribution

등록일
2005년 8월 11일 14시 06분 29초
접수번호
0880
발표코드
26P200포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
토 <발표Ⅲ>
발표형식
포스터
발표분야
의약화학
저자 및
공동저자
안지영, 김한조, 남기엽, 노경태1
(사)분자설계연구소,
1연세대학교 공과대학 생명공학과,
The purpose of this study was to develop a non-linear method, recursive partitioning (RP), for the prediction of the apparent volume of distribution (Vd) in man for heterogeneous series of drugs. Dataset classified into two sets, one had Vd value under 1L/Kg, the other had Vd value more than 1L/Kg. One model showed a relationship between charge of compound and distribution of Vd value. Generally positive charged compounds had better Vd characteristic than negative, with neural compounds between. So dataset divided into three subsets as acidic, neutral, basic compounds using ΔlogD (logD6.5-logD7.4) which proved to be an important contributor in improving the classification results. The predict power increased when separated subset was trained better than that total set was trained.

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