{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,6,12]],"date-time":"2024-06-12T12:33:44Z","timestamp":1718195624165},"reference-count":23,"publisher":"Springer Science and Business Media LLC","issue":"1","content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Source Code Biol Med"],"published-print":{"date-parts":[[2012,12]]},"abstract":"Abstract<\/jats:title>\n \n Background<\/jats:title>\n The graph-theoretical analysis of molecular networks has a long tradition in chemoinformatics. As demonstrated frequently, a well designed format to encode chemical structures and structure-related information of organic compounds is the Molfile format. But when it comes to use modern programming languages for statistical data analysis in Bio- and Chemoinformatics, as one of the most powerful free languages lacks tools to process Molfile data collections and import molecular network data into .<\/jats:p>\n <\/jats:sec>\n \n Results<\/jats:title>\n We design an object which allows a lossless information mapping of structural information from Molfiles into objects. This provides the basis to use the object as an anchor for connecting Molfile data collections with libraries for analyzing graphs. Associated with the objects, a set of functions completes the toolset to organize, describe and manipulate the converted data sets. Further, we bypass -typical limits for manipulating large data sets by storing objects in -compressed serialized files instead of employing files.<\/jats:p>\n <\/jats:sec>\n \n Conclusions<\/jats:title>\n By design, is a toolset without dependencies to other libraries or programming languages. It is useful to integrate into pipelines for serialized batch analysis by using network data and, therefore, helps to process sdf-data sets in efficiently. It is freely available under the BSD licence. The script source can be downloaded fromhttp:\/\/sourceforge.net\/p\/rmol-toolset<\/jats:ext-link>\n <\/jats:p>\n <\/jats:sec>","DOI":"10.1186\/1751-0473-7-12","type":"journal-article","created":{"date-parts":[[2012,11,14]],"date-time":"2012-11-14T15:14:00Z","timestamp":1352906040000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["RMol: a toolset for transforming SD\/Molfile structure information into R objects"],"prefix":"10.1186","volume":"7","author":[{"given":"Martin","family":"Grabner","sequence":"first","affiliation":[]},{"given":"Kurt","family":"Varmuza","sequence":"additional","affiliation":[]},{"given":"Matthias","family":"Dehmer","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2012,11,14]]},"reference":[{"key":"80_CR1","doi-asserted-by":"publisher","first-page":"185","DOI":"10.1049\/iet-syb.2010.0025","volume":"5","author":"F Emmert-Streib","year":"2011","unstructured":"Emmert-Streib F, Dehmer M: Networks for systems biology: conceptual connection of data and function. 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