Similarity Measure for Molecular Structure: A Brief Review
| Autor: | Noor Azilah Muda, Yun-Huoy Choo, Siti Asmah Bero, Azah Kamilah Muda, Satrya Fajri Pratama |
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| Rok vydání: | 2017 |
| Předmět: |
History
Matching (graph theory) business.industry Structure (category theory) Pattern recognition 02 engineering and technology Similarity measure computer.software_genre 01 natural sciences Distance measures Domain (mathematical analysis) 0104 chemical sciences Computer Science Applications Education 010404 medicinal & biomolecular chemistry Similarity (network science) Cheminformatics Normalized compression distance 0202 electrical engineering electronic engineering information engineering 020201 artificial intelligence & image processing Artificial intelligence Data mining business computer Mathematics |
| Zdroj: | Journal of Physics: Conference Series. 892:012015 |
| ISSN: | 1742-6596 1742-6588 |
| DOI: | 10.1088/1742-6596/892/1/012015 |
| Popis: | Similarity or distance measures have been used widely to calculate the similarity or dissimilarity between two samples of dataset. Cheminformatics is known as the domain that dealing with chemical information and both similarity and distance coefficient have been an important role for matching, searching and classification of chemical information. There are various types of similarity/distance coefficient used in molecular structure similarity searching. Generally, the calculation using similarity/distance coefficient is focusing more on 2-dimensional (2D) rather than 3-dimensional (3D) structure. In this paper, the popular similarity/distance coefficients for molecular structure will be reviewed together with the review on 3D molecular structure. |
| Databáze: | OpenAIRE |
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