首页> Molecular diversity> Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space.

Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space.

导出 LinkOut

翻译打印收藏纠错

第一作者： Lijo,John

第一单位： Advanced Computation and Data Sciences Division, CSIR - North East Institute of Science and Technology, Jorhat, 785006, India.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India.

作者： Lijo,John ^[1] ; Selvaraman,Nagamani ^[1] ; Hridoy Jyoti,Mahanta ^[1] ; S,Vaikundamani ^[2] ; Nandan,Kumar ^[1] ; Asheesh,Kumar ^[2] ; Esther,Jamir ^[1] ; Lipsa,Priyadarsinee ^[1] ; G Narahari,Sastry ^[3]

作者单位： Advanced Computation and Data Sciences Division, CSIR - North East Institute of Science and Technology, Jorhat, 785006, India.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. ^[1] Advanced Computation and Data Sciences Division, CSIR - North East Institute of Science and Technology, Jorhat, 785006, India. ^[2] Advanced Computation and Data Sciences Division, CSIR - North East Institute of Science and Technology, Jorhat, 785006, India. gnsastry@gmail.com.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. gnsastry@gmail.com. ^[3]

关键词 Chemical space Compound library MPDS-AadharID Structural classification

医学主题词小分子化合物库(Small Molecule Libraries);算法(Algorithms);分子结构(Molecular Structure);软件(Software)

DOI 10.1007/s11030-023-10752-1

PMID 37902900

发布时间 2024-12-02

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交