The Model Adaptive Space Shrinkage(MASS)Approacha new method for Simultaneous Variable Selection and

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户:marinehope
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Variable selection and outlier detection are of important process in chemical modeling [1],but many scientists focus on them separately and perform variable selection and outlier detection in different orders.In addition,except the outlier detection and variable influence each other,the modeling result is also strongly affected by the order of outlier detection and variable selection.
其他文献
  Estrogen receptor(ER)belongs to the nuclear receptor family of ligand modulated transcriptional factors,which has two subtypes,ERα and ERβ.The functions a
  采用密度泛函理论和周期平板模型相结合的方法,对CH3OH 分子在Pt-Cr-Cu(111)表面top-Pt,top-Cr,top-Cu,bridge-Pt2,bridge-PtCr,bridge-PtCu,bridge-CrCu,hcp-Pt2Cr,hcp-
  金属离子对很多生物分子而言都是至关重要的辅基,尤其是催化复杂化学应的金属酶蛋白[1]。一项研究表明,已知晶体结构的1371种酶蛋白中有约47%包含金属离子,41%有金属离子位
  表皮生长因子受体作为抗癌靶向药物设计的重要靶标之一,目前已经成为抗癌药物设计的一大焦点。本研究利用自组织神经网络、支持向量机和多元线性回归等机器学习算法,以及化
  Here,we employed structure-based ligand discovery techniques to explore the opportunity of a recently determined crystal structure of the 5-HT2B receptor.We
  Different charged functional groups including-COO-and-NH3+with long aliphatic chain were added to entrance and interior of(15,15)armchair carbon nanotubes(C
  As the largest druggable family,GPCRs can be activated from inactive states to active ones,which is accompanied by a series of conformational rearrangements
  The selective oxidation of hydrocarbons catalyzed by hydroxyimide organocatalysts,typically N-hydroxyphthalimide(NHPI),has attracted substantial interest in
  基因表达是一个高度复杂的过程,受各种因素的调控。其中,组蛋白修饰在基因表达调控中具有重要作用。由于不同的组蛋白具有不同的功能,与其相关的基因也应该不同。因此我们构
  Ligand-based virtual screening(LBVS)is an efficient strategy in lead compound discovery especially when the target structure is unavailable.In this article,