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...To help meet these needs, the JRC QSAR Model Database is established and freely accessible through http://qsardb.jrc.ec.europa.eu/qmrf The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including the results of any validation studies. The information is structured according to the OECD validation principles. Download the QMRF Editor in order to describe your models in QMRF format and send the descriptions to JRC-COMPUTOX@ec.europa.eu to have them included in the database. More at http://qmrf.sourceforge.net/

...Briefly, you have self-sufficient Device Monitors – programming units responsible for communication with a single physical unit – and a System Module – the high-level programs that send commands to the Device Monitors. In the files presented, you can download several Device Monitor for hardware as well as ample examples of System Modules used for real processes as well as for starting using the OpenFlowChem platform.

...SMoG2016.tar.gz allows to compute a score with the newly developed function (J. Chem. Inf. Mod., http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00610). For any questions, please send emails exclusively at opengrowth-discuss@lists.sourceforge.net.

...If you use ChelomEx for your research, please cite our Analytical Chemistry paper that describes the software (http://dx.doi.org/10.1021/ac503000e). To comment, send bug reports or suggestions for additional features to be implemented in future versions please send me a message. The current version ChelomEx 1.2 from 06 January 2016 includes the following changes to the original version (ChelomEx 1.0): - function to filter discovered isotope patterns after the first analysis step (isotope pattern search), accessible in the Isotope Pattern toolbar (v1.2) - updates for compatibility with MatLab versions after 2014b (v1.2) - siderophore database update (v1.1) - can now also analyze negative mode data (v1.1) - bug fixes (v1.1)