Structure—Activity Models of Biological Oxygen Demand

Autor: Tom R. Lander, Kurt Enslein, Michael E. Tomb
Rok vydání: 1984
Předmět:
Zdroj: QSAR in Environmental Toxicology ISBN: 9789400964174
DOI: 10.1007/978-94-009-6415-0_7
Popis: A structure—activity model of biological oxygen demand (BOD) has been developed. The independent parameters consist mostly of molecular connectivity indices (MCI), pioneered by Kier and Hall. A discriminant analysis model based on approximately 250 chemicals accurately classified 88% of the classifiable chemicals, producing approximately 11% false—positive and 1% false negatives, in the presence of approximately 42% of chemicals for which no estimate could be made.
Databáze: OpenAIRE