CONSTRUCTION METHOD AND SYSTEM FOR SMALL MOLECULE DRUG CRYSTAL FORM KNOWLEDGE GRAPH

WIPO Patent Application WO/2022/246691

A1

The present invention relates to the technical field of small molecule drug crystal forms, and provides a construction method and system for a small molecule drug crystal form knowledge graph, comprising: S1, crawling the comprehensive data information of a small molecule drug published by a network, and storing source file content; S2, classifying and cleaning the source file content according to a key word, wherein molecule information and crystal information are processed and stored according to the format of structured data, and the remaining information is flexibly stored in a non-structured data mode; and S3, constructing an entity data layer, and according to the data in the entity data layer, further constructing a mode layer used for storing a relationship between entities, and the attributes of the entities. Concepts in the crystal form research and preparation process of the small molecule drugs are fully developed, and the category and attribute information of the relevant entities in the abundant crystal form research are provided, so that the automatic query of similar crystal forms is achieved. The present invention plays an important role in the promotion and acceleration of the overall research and development process of small molecule new drugs.

LI HE (CN)
WEN SHU HAO (CN)
MA JIAN (CN)
LAI LI PENG (CN)

PCT/CN2021/096074

December 01, 2022

May 26, 2021

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SHENZHEN JINGTAI TECH CO LTD (CN)

G06F16/36

CN111523316A	2020-08-11
CN111723215A	2020-09-29
CN111428048A	2020-07-17
CN109766445A	2019-05-17
CN112100405A	2020-12-18
US20170213127A1	2017-07-27

SZ KINDWALF INTELLECTUAL PROPERTY FIRM (CN)

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