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The FL subsets of these databases were classified by MQN (Molecular Quantum Numbers, a set of 42 integer value descriptors of molecular structure) and formatted for fast MQN-similarity searching and interactive exploration of color-coded principal component maps in form of the FL-mapplet and FL-browser applications freely available at<jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"http:\/\/www.gdb.unibe.ch\" ext-link-type=\"uri\">http:\/\/www.gdb.unibe.ch<\/jats:ext-link>. MQN-similarity is shown to efficiently recover 15 different fragrance molecule families from the different FL subsets, demonstrating the relevance of the MQN-based tool to explore the fragrance chemical space.<\/jats:p>","DOI":"10.1186\/1758-2946-6-27","type":"journal-article","created":{"date-parts":[[2014,5,22]],"date-time":"2014-05-22T11:03:38Z","timestamp":1400756618000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":35,"title":["Expanding the fragrance chemical space for virtual screening"],"prefix":"10.1186","volume":"6","author":[{"given":"Lars","family":"Ruddigkeit","sequence":"first","affiliation":[]},{"given":"Mahendra","family":"Awale","sequence":"additional","affiliation":[]},{"given":"Jean-Louis","family":"Reymond","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2014,5,22]]},"reference":[{"key":"600_CR1","doi-asserted-by":"publisher","first-page":"175","DOI":"10.1016\/0092-8674(91)90418-X","volume":"65","author":"L Buck","year":"1991","unstructured":"Buck L, Axel R: A novel multigene family may encode odorant receptors: a molecular basis for odor recognition. 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