Display of chemical structural formulas as digital computer output

Opler, Ascher; Baird, Norma

doi:10.1002/asi.5090100107

Cited by 8 publications

(4 citation statements)

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“…In 1959, Opler and Baird described probably the first graphical display of chemical structures as computer output on the face of a cathode-ray tube. 24 1960S: COMPUTER TECHNOLOGY In the 1960s, computer technology was improved rapidly. The "third generation" computers based on the first integrated circuits were built.…”

Section: S: Birth Of Chemoinformaticsmentioning

confidence: 99%

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Chemoinformatics: Past, Present, and Future^†

Chen

2006

J. Chem. Inf. Model.

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The history of chemoinformatics is reviewed in a decade-by-decade manner from the 1940s to the present. The focus is placed on four traditional research areas: chemical database systems, computer-assisted structure elucidation systems, computer-assisted synthesis design systems, and 3D structure builders. Considering the fact that computer technology has been one of the major driving forces of the development of chemoinformatics, each section will start from a brief description of the new advances in computer technology of each decade. The summary and future prospects are given in the last section.

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Section: S: Birth Of Chemoinformaticsmentioning

confidence: 99%

“…In 1959, Opler and Baird described probably the first graphical display of chemical structures as computer output on the face of a cathode-ray tube …”

Section: S: Database Systemsmentioning

confidence: 99%

Chemoinformatics: Past, Present, and Future^†

Chen

2006

J. Chem. Inf. Model.

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“…The largest organized files of chemical structures are still in printed, rather than machine-readable form, stored as systematic names in indexes such as those to Chemical Abstracts and Beilstein, and it is especially heartening that rapid progress is being made toward programs for conversion of nomenclature into connection tables. This is an objective for which algorithms have been discussed by Opler, 15 Tsukerman,22 and Dyson,6 and most comprehensively by Vander Stouw. 23 The more limited objective of automatic derivation of a molecular formula was described by Garfield9 for organic structures, and discussed by Seifer1' for inorganic compounds.…”

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confidence: 99%

Conversion of Connection Table Descriptions of Chemical Compounds into a Form of Wiswesser Notation

Lynch¹

1968

J. Chem. Doc.

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The need, in computer files of chemical structures, for a unique linear notation in which the ordering is that of the original notation for manual use is questioned.Instead, a notation using the symbols and syntax of a linear notation and the ordering of a canonical connection table from which it can be derived is suggested for use in mechanized systems. A computer program which converts connection table descriptions of acyclic chemical structures into synonyms of correctly-ordered Wiswesser notations is described. Since they bear a one-to-one relation with the canonical connection table, they are themselves canonical, in a particular sense, and can thus be used for registration, as well as for symbol-connectivity searches. Suggestions are made for extension of the procedure to cyclic structures.

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“…The computer can be programmed to search these symbols for the desired structural characteristics. Opler (8) has devised a dot-display method using a cathode ray tube for computer output of chemical structures. Each symbol in a structure is depicted by dots in an 8 x 8 dot pattern.…”

mentioning

confidence: 99%