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Full enumeration technique

Most of the descriptors discussed in this review require an enumerated structure, i,e., the full connection table of the reference molecule. For combinatorial libraries and for certain kinds of descriptors, this is not necessary. Downs and Barnard have recently presented an elegant method to compute molecular fingerprints based on the precursors, using techniques developed for Markush structure handling in chemical patents,... [Pg.744]


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Enumeration

Enumeration Techniques

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