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Quantitative Structure Activity Relationships (QSAR)

Authors: Heinz Schmidli;

Quantitative Structure Activity Relationships (QSAR)

Abstract

The development of new effective chemical substances, such as new drugs, herbicides or insecticides, is essential for the survival of an agro-chemical and pharmaceutical industry. The process of finding biologically active compounds is very research-intensive and time consuming, illustrated by the fact that typically only about 1 of 10’000 synthesized chemical substances can finally be used as a commercial product The starting point for the development of a new substance is typically a putative “lead substance”, i.e. a substance believed to be chemically modifiable into a biologically very active compound. Once this lead substance is found, numerous modified substances are synthesized and their biological activity is measured. By relating the structural properties of these substances to their biological activity, the physico-chemical properties necessary for high biological activity are identified. This information is then used to synthesize new substances with hopefully higher biological activity. Then a new cycle in the process of developing new active substances is started.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
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