chémoinformatique
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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
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 · Français
La chémoinformatique (anglicisme) ou chimio-informatique, est le domaine de la science qui consiste en l'application de l'informatique aux problèmes relatifs à la chimie. Elle a pour objectif de fournir des outils et des méthodes pour l'analyse et le traitement des données issues des différents domaines de la chimie. Elle est notamment utilisée en pharmacologie pour la découverte de nouvelles molécules actives et la prédiction de propriétés à partir de structures moléculaires. Certaines applications de la chémoinformatique reposent sur les équations de la physique quantique. Elles permettent ainsi de modéliser les conformations des molécules.
Abstract from DBpedia / Wikipedia · CC BY-SA