化学研究与应用
化學研究與應用
화학연구여응용
CHEMICAL RESEARCH AND APPLICATION
2010年
1期
67-72
,共6页
张亚超%李梦龙%郭延芝%文志宁%高楠莎%覃洁萍%邓家刚
張亞超%李夢龍%郭延芝%文誌寧%高楠莎%覃潔萍%鄧傢剛
장아초%리몽룡%곽연지%문지저%고남사%담길평%산가강
平性药%有效成分%药性%模式识别
平性藥%有效成分%藥性%模式識彆
평성약%유효성분%약성%모식식별
mild chinese medicine%active ingredients%property%pattern recognition
本文精选了50味平性药及50味对照非平性药作为研究对象;从各味药的有效成分入手,利用其所含有的特定的骨架及官能团信息直观地进行了数字化表征;采用模式识别中的支持向量机方法进行了分类研究,挑选最优特征时,总正确率最高可以达到73%,表明了中药的有效成分与其药性之间确实存在一定的相关关系.并且通过对识别率的比较发现,平性药药性的不显著本质上可能是由于其本身所含有效成分更高的分子多样性.本文对探索平性药药性的物质基础具有一定的指导作用.
本文精選瞭50味平性藥及50味對照非平性藥作為研究對象;從各味藥的有效成分入手,利用其所含有的特定的骨架及官能糰信息直觀地進行瞭數字化錶徵;採用模式識彆中的支持嚮量機方法進行瞭分類研究,挑選最優特徵時,總正確率最高可以達到73%,錶明瞭中藥的有效成分與其藥性之間確實存在一定的相關關繫.併且通過對識彆率的比較髮現,平性藥藥性的不顯著本質上可能是由于其本身所含有效成分更高的分子多樣性.本文對探索平性藥藥性的物質基礎具有一定的指導作用.
본문정선료50미평성약급50미대조비평성약작위연구대상;종각미약적유효성분입수,이용기소함유적특정적골가급관능단신식직관지진행료수자화표정;채용모식식별중적지지향량궤방법진행료분류연구,도선최우특정시,총정학솔최고가이체도73%,표명료중약적유효성분여기약성지간학실존재일정적상관관계.병차통과대식별솔적비교발현,평성약약성적불현저본질상가능시유우기본신소함유효성분경고적분자다양성.본문대탐색평성약약성적물질기출구유일정적지도작용.
In this paper,50 mild medicines and 50 non-mild medicines as control groups were chosen for modeling study.Starting from a variety of active ingredients of each medicine,digital characterization was carried out using their containing specific backbone types and functional groups.Then,Support Vector Machine,one of the popular pattern recognition methods,was used to do the classification work and gave the best total accuracy of 73% when choosing appropriate features,which indicated the strong relationship between the active ingredients and the property of Chinese medicine.And it was found out that the mild medicines' not obvious property may be due to the higher molecular diversity of their active ingredients than those of non-mild cold and heat ones by comparing their respective recognition ratio.This work may guide the study of the basic factors that underlie the special property of mild medicines.