实验室与研究工作简介课件.pptVIP

ITODYS, Université Paris 7 - Denis Diderot CNRS UMR 7086, 1, rue Guy de la Brosse, 75005 Paris Cedex, France;ITODYS （系统界面、组织和动力学研究所） 巴黎第七（狄德罗）大学－法国国家科研中心 UMR7086;MAIN RESEARCH AREAS Quantum Calculations Organic reactions Materials Processes …… Chemoinformatics Molecular Graphs Data Mining Spectral Simulation Structural Elucidation Molecular Similarity and Diversity Bioactive Molecules and Drug Design PPGs, Rutin, Quercetin, …: Action Mechanism Saccharide-Saccharide Interaction Rational Structure Generation Anti-HIV Drug Design Anti-Cancer Drug Design Virtual High Throughput Screening RNA Target Drug Design Non-Linear Methods Applied to QSAR/QSPR ANNs and Applications in QSPR SVM and Applications to QSAR/QSPR Genetic Algorithms;参与中国的科研及中法合作项目;Theoretical Study of Reaction Mechanism ;Geometries of transition states obtained from ab initio calculation ;Molecular Graph Handling Ring Perception; Detection of Constitutionally Equivalent Sites; Automorphism; Homomorphism; Isomorphism; Pattern Recognition; Graphic Index; Canonic Numbering; Relative Symmetry; ……;? RING PERCEPTION;DETECTION PROCEDURE OF EQUIVALENT SITES;Strategy of Spectral Simulation;SIRS-SS: Substructure/Subspectra correlation;Example;;Key Role of Four Pivot Databases;奋逗弊绿色且返侗闪载生盅句壁捍嫌凭撰鸟番膛棺群影立斥晕痰诉钥硼啡实验室与研究工作简介课件实验室与研究工作简介课件;Peak 1: C2d3r0 C3d4r0 O2d1r0 C3d1r0 C3d1r0 C3d1r0 C2d3r0 O3d2r0 O2d1r0 C3d2r0 Peak 2: C3d4r0 C2d3r0 C3d1r0 C3d1r0 C2d3r0 O2d1r0 C3d1r0 O3d2r0 O2d1r0 C3d2r0 C3d1r0 Peak 3:C3d4r0 C2d3r0 C3d1r0 C3d1r0 C2d3r0 O3d2r0 O2d1r0 O2d1r0 C3d1r0 C3d2r0 C3d1r0 Peak 4:C2d3r0 C3d4r0 O3d2r0 O2d1r0 C3d1r0 C3d1r0 C2d3r0 C3d2r0 O2d1r0 C3d1r0 C3d1r0 Peak 5:C2d3r0 O3d2r0 O2d1r0 C3d4r0 C3d2r0 C3d1r0 C3d1r0 C2d3r0 C3d1r0 O2d1r0 C3d1r0 Peak 6:O3d2r0 C2d3r0 C3d2r0 O2d1r0 C3d4r0 C3d1r0 C3d1r0 C3d1r0 C2d3r0 O2d1r0 C3d1r0 Peak 7:O3d2r0 C3d2r0 C2d3r0 C3d1r0 O2d1r0 C3d4r0 C3d1r0 C3d1r0 C2d3r0 O2d1r0 C3D1r0 Peak 8:C3d2r0 O3d2r0 C3d1r0 C2d3r0 O2d1r0 C3d4r0 C3d1