化学信息学
Sign in to saveAlso known as chemoinformatics, molecular informatics, chemioinformatics, chemical informatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such in silico techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in
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Vinony's link graph records 352 inbound references to 化学信息学, and connects out to pulp and paper industry, combinatorial chemistry and quantitative structure-activity relationship.
Vinony files it under Applied statistics, Cheminformatics and Computational chemistry.
Vinony links it to 31 Wikipedia language editions.
Research
3,062 papers- Cheminformatics in Natural Product-based Drug Discovery.Molecular informatics · 2020
- Flexible scaffold-based cheminformatics approach for polypharmacological drug design.Cell · 2024
- Cheminformatics to Characterize Pharmacologically Active Natural Products.Biomolecules · 2020
- Cheminformatics and virtual screening studies of COMT inhibitors as potential Parkinson's disease therapeutics.Expert opinion on drug discovery · 2020
- A Deep Learning Approach to Antibiotic Discovery.Cell · 2020
via PubMed
Wikidata facts
- Subclass of
- informatics
Show 4 more facts
- topic's main category
- Category:Cheminformatics
- Stack Exchange tag
- stackoverflow.com/tags/cheminformatics
- Commons category
- Computational chemistry
- different from
- computational chemistry
Sources (3)
via Wikidata · CC0
Article · 中文
化学信息学（Cheminformatics）是使用计算机和信息技术应用于化学领域的一系列问题。这些计算机（In silico）技术被用于在制药公司的药物发现过程中。这些方法也可以以各种其他形式用于化学和相关行业。
Abstract from DBpedia / Wikipedia · CC BY-SA