Linking activity to structure

• Crum Brown, A., Frazer, T, 1868, Transactions of the Royal Society of Edinburgh, 24, 151, 693

• Changes in biological activity were linked to small changes in structure.

• A very early example of linking information in the biology domain to information in the chemical domain

• Perhaps should be regarded as the birth of Chemoinformatics

? = f(C)

where

? is a compound’s physiological action

and

C is a compound’s chemical constitution

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