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Chemdoodle free download
Chemdoodle free download






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The Extra Data subdivision allows insertion of all structural spectroscopic information, such as 1H- and 13C-NMR (Nuclear Magnetic Resonance) and mass spectra. The interface provided by SistematX contains a wealth of useful information for the scientific community about natural products, highlighting the locations of species from which compounds are isolated. With its multiplatform design, it is able to be properly consulted via the internet and managed from any accredited computer. In this article, we introduced a modern and innovative web interface for the management of a secondary metabolite database. The SistematX homepage allows the user to log into the data management area using a login name and password and gain access to administration pages. The SistematX ( ) interface is implemented considering the following aspects: (a) the ability to search by structure, SMILES (Simplified Molecular-Input Line-Entry System) code, compound name and species (b) the ability to save chemical structures found by searching (c) compound data results include important characteristics for natural products chemistry and (d) the user can find specific information for taxonomic rank (from family to species) of the plant from which the compound was isolated, the searched-for molecule, and the bibliographic reference and Global Positioning System (GPS) coordinates. The large amounts of data already produced and the science of metabolomics reveal new questions: Are these compounds known or new? How fast can this information be obtained? To answer these and other relevant questions, an appropriate procedure to correctly store information on the data retrieved from the discovered metabolites is necessary.

chemdoodle free download

However, along this long scientific path, much information is lost or restricted to a specific niche. The traditional work of a natural products researcher consists in large part of time-consuming experimental work, collecting biota to prepare and analyze extracts and to identify innovative metabolites.








Chemdoodle free download