Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals

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作者
Marrero-Ponce, Yovani [1 ,2 ]
Torrens, Francisco [2 ]
Alvarado, Ysaias J. [3 ]
Rotondo, Richard [4 ]
机构
[1] Unit of Computer-Aided Molecular 'Biosilico' Discovery/Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Central University of Las Villas, Santa Clara, Villa Clara 54830, Cuba
[2] Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P.O. Box 22085, E-46071 València, Spain
[3] Departamento de Química, Facultad Experimental de Ciencias, La Universidad del Zulia (LUZ), Maracaibo, Venezuela
[4] Mediscovery, Inc., 601 Carlson Parkway, Minnetonka, MN 55305, United States
来源
J. Comp.-Aided Mol. Des. | / 10-11卷 / 685-701期
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摘要
Application programs - Computer aided analysis - Isomers - Organic chemicals - Quantum chemistry - Quantum theory - Stochastic systems
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