Product Details of 100-54-9《A pharmaceutical-related molecules dataset for reversed-phase chromatography retention time prediction built on combining pH and gradient time conditions》 was published in 2022. The authors were Van Laethem, Thomas;Kumari, Priyanka;Hubert, Philippe;Fillet, Marianne;Sacre, Pierre-Yves;Hubert, Cedric, and the article was included in《Data in Brief》. The author mentioned the following in the article:
There is a rising interest in the modeling and predicting of chromatog. retention. The progress towards more complex and comprehensive models emphasized the need for broad reliable datasets. The present dataset comprises small pharmaceutical compounds selected to cover a wide range in terms of physicochem. properties that are known to impact the retention in reversed-phase liquid chromatog. Moreover, this dataset was analyzed at five pH with two gradient slopes. It provides a reliable dataset with a diversity of conditions and compounds to support the building of new models. To enhance the robustness of the dataset, the compounds were injected individually, and each sequence of injections included a quality control sample. This unambiguous detection of each compound as well as a systematic anal. of a quality control sample ensured the quality of the reported retention times. Moreover, three different liquid chromatog. systems were used to increase the robustness of the dataset. And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.
3-Cyanopyridine(cas: 100-54-9) is an antimicrobial agent that can be used in the treatment of infectious diseases.Product Details of 100-54-9 It has been shown to be effective against a variety of bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and Streptococcus pneumoniae.