QSAR Modeling for Relative Toxicity Prediction of (3-(2-chloroquinolin-3-yl)oxiran-2-yl)(phenyl)methanone Derivatives
作者: Amit Kumar TiwariPreveena NarasimhamurthyGopalpur NagendrappaAbhilash Thakur
作者单位: 1P.G. Department of Chemistry, Centre for Postgraduate Studies, Jain University, 3rd Block, Jayanagar, Bangalore - 560011, (Karnataka), India. meettiwari@gmail.com
刊名: Current Research in Pharmaceutical Sciences, 2017, pp.16-24
来源数据库: Empro Publications
原始语种摘要: 2-Chloroquinoline-3-carbaldehyde and its substituted products are extremely versatile intermediates for synthesizing a variety of compounds containing quinoline moiety, which find many pharmaceutical and other applications. Quantitative structure-activity relationship (QSAR) plays an important role in toxicity prediction. The present study deals with acute toxicity predictions LD50 (medianlethal dose) values of (3-(2-chloroquinolin-3-yl)oxiran-2-yl)(phenyl) methanone and its derivatives in rat by oral exposure through QSAR modelling software package T.E.S.T. In the present study the toxicity (LD50) is evaluated using a variety of QSAR methodologies, such as hierarchical clustering, the Food and Drug Administration (FDA) MDL, nearest neighbor and a consensus model. For compounds No. 1 to...
全文获取路径: Empro出版社 

  • hierarchical 分级
  • software 软件
  • synthesizing 综合
  • package 外壳
  • clustering 聚类
  • phenyl 苯基
  • QSAR 排队顺序访问复位
  • nearest 最接近的
  • versatile 多方面的
  • values 价值观