## Abstract We applied the Multiple Computer Automated Structure Evaluation (Multi‐CASE) program to the analysis of the relationship between the structure of 2464 organic acids and their (first) p__K__~__a__~ values. By using the self‐created expert dictionary of molecular attributes pertinent to a
✦ LIBER ✦
Application of Quantitative Structure-Activity Relationship Modeling to the Evaluation of the Changes in Enzymatic Activity of Carboxypeptidase Y upon Chemical Modifications
✍ Scribed by A. Kanstrup; K. Breddam; O. Buchardt
- Book ID
- 115564544
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 535 KB
- Volume
- 304
- Category
- Article
- ISSN
- 0003-9861
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In the field of genotoxicology, quantitative structure᎐activity Ž . relationships QSAR are frequently used to study the relationship between the structure of a toxic chemical and its biological activity. Nowadays, quantum chemical methods are often used to obtain relevant descriptors for the compoun