R. Carbo-Dorca,D. Robert,L. Amat,X. Girones,E. Besalu's Molecular Quantum Similarity in QSAR and Drug Design PDF

By R. Carbo-Dorca,D. Robert,L. Amat,X. Girones,E. Besalu

The authors introduce the concept that of Molecular Quantum Similarity, built of their laboratory, in a didactic shape. the root of the idea that combines quantum theoretical calculations with molecular constitution and
homes even for big molecules. they provide definitions and tactics to compute similarities molecules and supply graphical instruments for visualisation of units of molecules as n-dimensional element charts.

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Molecular Quantum Similarity in QSAR and Drug Design (Lecture Notes in Chemistry) by R. Carbo-Dorca,D. Robert,L. Amat,X. Girones,E. Besalu


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