Comparison of chemical similarity measures using different numbers of query structures

Autor:	Shereena M. Arif, John D. Holliday, Peter Willett
Rok vydání:	2013
Předmět:	Information retrieval Similarity (network science) Cheminformatics Computer science Sample size determination Chemical similarity Library and Information Sciences Chemical database Information Systems Textual information
Zdroj:	Journal of Information Science. 39:7-14
ISSN:	1741-6485 0165-5515
Popis:	Many different similarity measures have been described for searching chemical databases. Drawing on previous work in textual information retrieval, this paper investigates the numbers of queries that are required to make robust statements as to the relative retrieval effectiveness of different similarity measures. Experiments with the MDL Drug Data Report database suggest that much larger numbers of queries are ideally required for this purpose than has been the case in previous comparative studies in chemoinformatics.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e4565495109b745e14d575ae028471f3 https://doi.org/10.1177/0165551512470042 Zobrazit plný text záznamu