Molecular Quantum Similarity in QSAR and Drug Design

The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts.

שנה

2000

שפה

English

סדרה

Lecture Notes in Chemistry, 0342-4901 -- 73

הוצאה

Springer Berlin Heidelberg

מהדורות

1

עמודים

123

ISBN

9783642572739

מקור הנתונים: Wikidata