Parameter and structure-activity data bases: management for maximum utility. | Zendy

Alessandro De Leo | Zendy

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Parameter and structure-activity data bases: management for maximum utility.

Author(s) -

Alessandro De Leo

Publication year - 1985

Publication title -

environmental health perspectives

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.257

H-Index - 282

eISSN - 1552-9924

pISSN - 0091-6765

DOI - 10.1289/ehp.8561275

Subject(s) - quantitative structure–activity relationship , biochemical engineering , computer science , chemistry , biological system , management science , biology , machine learning , engineering

Quantitative structure-activity relationships (QSAR) in the fields of medicinal chemistry, pesticide science, biochemistry and toxicology are being published at an ever increasing rate. In addition to these biological correlation equations, thousands of such equations have been published for all kinds of organic reactions. There is a great need to develop a computerized system to enable one to make comparisons and to draw generalizations about the effects of structure on chemical and biological activity. A proposal is made for a systematic approach to this problem based on the physicochemical properties of organic compounds.

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