Computerized Management of Structure-Activity Data. III. Computerized Decoding and Manipulation of Ring Structures Coded in WLN.

Elkins, David

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Peer reviewed

ERIC Number: EJ104626

Record Type: Journal

Publication Date: 1974

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Computerized Management of Structure-Activity Data. III. Computerized Decoding and Manipulation of Ring Structures Coded in WLN

Elkins, David

Journal of Chemical Documentation, 14, 2, 65-69, May 74

Construction of the locant path, a table of interatom connections, and the molformula from the WLN for complex ring systems (including polycyclic, spiro, perifused, bridged, and pseudo-bridged rings) is described. The procedure has been programmed for a digital computer and has been found useful in manual decoding also. (Author)

Descriptors: Atomic Structure, Biochemistry, Computer Programs, Digital Computers, Information Retrieval, Organic Chemistry, Search Strategies

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