𝔖 Bobbio Scriptorium
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MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program

✍ Scribed by Klopman, Gilles


Book ID
112185392
Publisher
John Wiley and Sons
Year
1992
Tongue
English
Weight
831 KB
Volume
11
Category
Article
ISSN
1611-020X

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πŸ“œ SIMILAR VOLUMES


Multiple Computer-Automated structure ev
✍ Gilles Klopman; Roustem Saiakhov; Herbert S. Rosenkranz; Joop L. M. Hermens πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 98 KB

An acute fish toxicity model was constructed on the basis of a wide series of experimental data for guppy. The Multiple Computer-Automated Structure Evaluation program was used to construct the model. The created model possesses very good predictive ability. It can correctly predict acute toxicity f

Computer automated structure evaluation
✍ Orest T. Macina; Barbara S. Rigby πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 571 KB

The Computer Automated Structure Evaluation (CASE) program has been applied to a series of 1-vinylimidazoles, 1.2- disubstituted propenones, and azolylpropanolones exhibiting in vitro antifungal properties. Relevant molecular fragments were obtained for activity against the fungal strains Candida al

A computer automated structure evaluatio
✍ Gilles Klopman; Shaomeng Wang πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 605 KB

A Computer Automated Structure Evaluation (CASE j approach to the calculation of partition coefficient (log P ) has been developed. A linear regression equation was obtained linking the log P value of molecules to some of their fragments as identified by a CASE analysis. The relationship was obtaine

Application of the multiple computer aut
✍ Gilles Klopman; Dan Fercu πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 782 KB

## 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