Chemical editor-based compound name generation method and device

A compound and editor technology, applied in the field of chemical information, can solve the problems of difficult naming of chemical substances and high naming error rate, achieve high naming efficiency and accuracy, solve the effect of naming difficulties and high naming error rate

Pending Publication Date: 2022-07-08
苏州创腾软件有限公司
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  • Abstract
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Problems solved by technology

[0003] To this end, the embodiment of the present invention provides a method and device for generating compound names based on a chemica

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  • Chemical editor-based compound name generation method and device
  • Chemical editor-based compound name generation method and device
  • Chemical editor-based compound name generation method and device

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Embodiment Construction

[0053] The following specific embodiments are used to illustrate the embodiments of the present invention. Those who are familiar with the technology can easily understand other advantages and effects of the present invention from the contents disclosed in this specification. Obviously, the described embodiments are part of the present invention. , not all examples. Based on the embodiments of the present invention, all other embodiments obtained by those of ordinary skill in the art without creative efforts shall fall within the protection scope of the present invention.

[0054]In order to make up for the insufficiency of the existing chemical editors and make it easier for chemists to name compounds, the present invention provides a method and device for generating compound names according to the IUPAC organic compound naming rules, which are especially suitable for the names of organic compounds generate. In this embodiment, the name generation method and device are based...

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Abstract

The invention discloses a chemical editor-based compound name generation method and device, and the method comprises the steps: obtaining a chemical structural formula of a to-be-named compound, and carrying out the disassembly of the chemical structural formula based on a preset rule, so as to obtain a plurality of connection components; respectively splitting each connecting component into a plurality of structure segments, and naming each structure segment to obtain the name of each structure segment; organizing the names of the structure fragments according to a preset strategy to generate names of the connection components corresponding to the structure fragments; sequentially connecting the names of the connecting components, and separating the names of two adjacent connecting components to generate the name of the compound to be named. The technical problems that in the prior art, chemical naming is difficult, and the naming error rate is high are solved.

Description

technical field [0001] The invention relates to the technical field of chemical information, in particular to a chemical editor-based compound name generation method and device. Background technique [0002] Existing chemistry editors, especially web-based chemistry editors, cannot automatically name compounds. When using, users need to name compounds by themselves. For compounds with complex structures, such as drug molecules and natural products, the artificial self-naming process is complicated, involving many rules, and naming errors are prone to occur in practical operations. SUMMARY OF THE INVENTION [0003] To this end, embodiments of the present invention provide a chemical editor-based compound name generation method and device to at least partially solve the technical problems of difficulty in naming chemical substances and high naming error rates in the prior art. [0004] In order to achieve the above purpose, the embodiments of the present invention provide t...

Claims

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Application Information

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IPC IPC(8): G06F16/903G06F40/126G06F40/154
CPCG06F40/126G06F40/154G06F16/90344Y02P90/30
Inventor 毕乐明
Owner 苏州创腾软件有限公司
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