We used the comparative molecular field analysis (CoMFA) method to correlate the rate constant (log k) for the S,2 reaction of benzyl benzenesulfonates and p-methoxybenzylamines. Molecular fields calculated with a C+ probe produced a good correlation with a small standard deviation and a high correl
Molecular genotoxicity of mx compounds and the correlation with lumo: comparative molecular field analysis
โ Scribed by A. Poso; K. Tuppurainen; J. Gynther
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 147 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0263-7855
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