Molecule mining

id: molecule-mining-179-491402
title: Molecule mining
text: Molecule mining is the process of data mining, or extracting and discovering patterns, as applied to molecules. Since molecules may be represented by molecular graphs, this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data instances. One way to do this is chemical similarity metrics, which has a long tradition in the field of cheminformatics. Typical approaches to calculate chemical similarities use chemic
brand slug: wiki
category slug: encyclopedia
description: The process of extracting and discovering patterns in data sets about molecules
original url: https://en.wikipedia.org/wiki/Molecule_mining
date created: 2006-04-22T11:50:47Z
date modified: 2024-09-04T18:29:53Z
main entity: {"identifier":"Q6896054","url":"https://www.wikidata.org/entity/Q6896054"}
image:
fields total: 13
integrity: 15

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