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. The Google Patents add-in will initiate an exact or substructure search into Google Patents and/or Google Scholar.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. Select molecules and get immediate insight into their potential applications. Export collections as Powerpoint Slides in one click or as an SD File. Create lists of compounds, edit chemical structures and annotate them easily. ChemOffice+ lets you browse, extract and re-use ChemDraw® documents embedded inside MS Office documents. The new Cloud application designed to facilitate the communication of Chemistry. Upon 1st launch of ChemDraw 20.0, a comprehensive hotkey cheat sheet will be presented to the user.Ĭomplementary to the version 19.0 Ring Fill coloring, atoms, labels and bonds can highlighted with a specific color to facilitate communication and audience focus.Ī new 3D clean-up function will generate 3D confirmations of structures from 2D representations, to generate realistic 3D renderings in just a few clicks “Shift+o” creates a “OMe” group, and “Shift+e” a “CO2Me”.
“k” now creates a sulfone group, “Shift+k” on primary carbon gives a tert-butyl group with 90° angles and on secondary carbons a wedged/hashed-wedged gem-dimethyl group. Here are some of the highlights of version 20.0:Ī new Molecule hotkey “Enter” is available to switch from a selected molecule to hotspot molecule editing.