The editor allows the application of a broad toolbox of chemical visualization tools and offers many additional functions for the generation of calculated information and identifiers. ChemDraw from CambridgeSoft (now a product of PerkinElmer) is the de facto standard chemical structure editor in the industry and is also probably the most common editor in academia. To be able to present the chemical structure in a way that allows the exchange of information, usually embedded ChemDraw drawings are used. In addition, research in chemistry suffers from one particular and fundamental requirement: chemistry research is in most of the cases connected to chemical structures which have to be presented in a user readable and understandable format.
To the current situation, the re-usability of research data is far from being perfect as repositories are not used on a permanent basis, standardization projects, ontologies, and metadata are upcoming but have not yet reached the whole community, and software to analyze and process the research data is often not available to all researchers. Relevant factors are, for example, the availability and the frequent use of repositories, the standardization of scientific documentation and data formats, the use of ontologies as well as metadata, and the availability of software to analyze and process the available data. As in all other disciplines as well, the re-usability of research data in chemistry depends on manifold factors. The relevance of the reusability of research data is highlighted by many initiatives and institutions, amongst which are the FAIR (findable, accessible, interoperable, and re-usable) data initiative and the RDA (research data alliance). It has a high impact on the speed and accuracy of scientific developments and the development of common knowledge. The re-usability of scientific results is of high importance. The project aims to support the chemists in their efforts to re-use chemistry research data by providing them missing tools for an automated assembly of reaction data. The software was designed with a focus on the processing of documents with embedded molecular structure information as CDX or CDXML as these are the most common file formats for chemical drawings. C hemS canner supports the export to Excel and CML, the direct import of the extracted data to the Open Source ELN Chemotion or the use via “copy and paste” of selected information. The extracted information is processed to reactions, molecules, as well as additional text and values and can be accessed via the C hemS canner UI. for student’s theses, PhD theses, or publications).
This can facilitate the reuse of chemical information embedded into diverse documents used as standard storage and communication instrument in chemical sciences (e.g. Post memes/jokes in /r/chemistrymemes and /r/chemistryjokes.We developed C hemS canner, a software that can be used for the extraction of chemical information from ChemDraw binary (CDX) or ChemDraw XML-based (CDXML) files and to retrieve the ChemDraw scheme from DOC, DOCX or XML documents. Any such posts will be deleted.Īsk education and jobs questions in the current weekly topic. If you're looking for a more concentrated, advanced discussion of chemistry topics among professionals and grad students, check out /r/Chempros.īefore asking "What chemical is this?" see this chart. Click here for the OSHA chemical data site and here for a multicompany MSDS aggregate search.
If you spill/injure yourself contact medical professionals and read the MSDS, do not post to this reddit. Yes links to blogs, images, videos, comics, and infographics are okay especially if they are on your personal website. No physorg, sciencedaily, or other press release aggregator spam!
If a caption or explanation is included this helps, but please use your discretion.īefore asking about chemical drawing/illustration programs, look at your school's IT/software website and see if they provide an institutional license of ChemDraw (hint: if they have a chemistry department, they will) Likewise, simple pictures of uninteresting and garden variety chemistry-related things are not appreciated. No memes, rage comics, image macros, reaction gifs, or other "zero-content" material. However, academic discussions on pharmaceutical chemistry and the science of explosives are permitted. Rules: Violating a rule will result in a ban.Īsk homework, exam, lab, and other undergraduate-level questions at ChemicalForums otherwise it will be deleted.ĭiscussions on illicit drug synthesis, bomb making, and other illegal activities are not allowed and will lead to a ban.