Id symbol unique to structural formula of compound

G - Physics – 06 – F

Patent

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G06F 17/30 (2006.01) C07B 61/00 (2006.01)

Patent

CA 2393321

A method for producing a character string having a substantially unique fixed or variable length with respect to a chemical structural formula, on the basis of the kind of each atom constituting a compound and the combinatorial relation of the atoms and/or the kind of an isomer and employing the character string as an ID symbol of the compound, and a method for converting the character string to data the amount of which is small or a character string by using a character string converting function and employing it as the ID symbol of the compound.

Cette invention a trait à une méthode de production de chaîne de caractères à longueur sensiblement unique fixe ou variable, relativement à une formule de structure chimique et ce, en fonction du type de chaque atome constituant un composé et de la relation combinatoire des atomes et/ou du type d'un isomère. Cette méthode utilise la chaîne de caractères comme symbole d'identification du composé. L'invention porte également sur une méthode permettant de convertir cette chaîne de caractères en données de nombre réduit ou en chaîne de caractères en utilisant une fonction de conversion de chaîne de caractères et en l'utilisant comme symbole d'identification du composé.

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