By Mark T.D. Cronin
ISBN-10: 0415271800
ISBN-13: 9780415271806
Twenty contributions clarify the applying of the computational tools of quantitative structure-activity relationships (QSARs) to danger administration of environmental toxicity. offered by way of Cronin (Liverpool John Moores U., united kingdom) and Livingstone (U. of Portsmouth, UK), first describe simple technique ahead of proposing more than a few QSARs for either human well-being endpoints, and environmental toxicity and destiny. 3 ultimate chapters current examples of purposes similar to an method of toxicity review according to the built-in use of non- animal checks and QSARs utilized by governmental regulatory businesses. Annotation c 2004 publication information, Inc., Portland, OR
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Example text
Internet Sources 1. Free sources 2. Commercial Sources C. New Data II. Current Efforts III. Data Search Parameters IV. Data Format A. Typical Data Format B. QSAR Data Format V. Data Quality and Compatibility A. Data Quality B. Data Compatibility C. Erroneous Data 1. Data Errors in Databases 2. Data Errors in Primary Literatur D. How to Spot Errors VI. Outliers VII. Chemical Structure Notations A. Wiswesser Line Notation B. SMILES Notation 1. Rule 1 2. Rule 2 3. Rule 3 4. Rule 4 References © 2004 by CRC Press LLC I.
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