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Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships

✍ Scribed by Gironés, X.; Amat, L.; Carbó-Dorca, R.

Book ID
118179444
Publisher
Taylor and Francis Group
Year
1999
Tongue
English
Weight
549 KB
Volume
10
Category
Article
ISSN
1062-936X

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## Quantitative structure-retention relationships are used to relate the chromatographic retention of analytes to their molecular structure features. With well selected descriptors quick a priori prediction can be accomplished. The descriptors were distinguished in this study in four groups, namel