![]() See it in action using the Resolve CIP Stereochemistry demo. Our CIP libraries are fast and accurate and support both chiral and double bond centers. You can now resolve advanced CIP stereochemistry configurations using Cloud services.See the Styles tutorial for more information. The fault_ specs have been replaced by a ChemDoodle.DEFAULT_STYLES Styles class object. The Canvas.specs parameter is now Canvas.styles. The VisualSpecifications class has been refactored to Styles to match the change in our desktop software, and also require less typing from developers.The internal jQuery library has been updated to version 2.2.4.The 2D sketcher now uses SVGs for icons instead of PNGs, so they are crisp and clear on all devices at all resolutions, matching the graphics from the components.IE11 is still fully supported using certain internal polyfills, but we recommend IE users switch to Microsoft Edge. Legacy IE support (and Google Chrome Frame) has been dropped. The strStartsWith() function in the Extensions package has been removed. Most importantly, we now use let variable declarations instead of var. The entire library has been refactored for ES6 best practices.The ChemDoodle Web Components website has been recreated to be responsive, much easier to read, and support high-DPI displays for clarity. New Cloud features include advanced CIP stereochemistry support, reaction equation balancing, and stereochemistry enforcement in mechanism matching. The sketcher and editor UIs have been improved with SVG button icons. There has been a complete refactor of the library to ES6 best standards. Version 9 is a major update to the ChemDoodle Web Components library. As always, if you have any questions, suggestions or bug reports concerning iChemLabs software, please contact us. Proprietary customers should see updates to their custom builds in their customer portal. We also created a brand new website to show off the new update, which is responsive, high-resolution and much measier to navigate. There is a major update (v9) to the ChemDoodle Web Components library today. Imagine using these algorithms in your own educational eBook or in an advanced reaction database! Enjoy! Contact iChemLabs today for details.Check out our brand new ChemDoodle Web Components website. You can add your own mechanisms for matching by drawing them in the sketcher and clicking either of the two blank components below the sketcher. Note that the Br 2 mechanism uses single electron pushers and the last two mechanisms are identical, but use different representations of the benzene ring to show they should match each other. If only part of the mechanism is drawn, it will be marked as a PARTIAL MATCH!. Draw any of the mechanisms shown to the right and when drawn correctly, they will be marked as a MATCH!. This allows us to create advanced chemical systems, please see our ChemStack demo for a nice example.īeyond structural comparisons, ChemDoodle provides the ability to compare movement of electrons within and between structures, in essence we can compare mechanism drawings. In addition, ChemDoodle also allows for superstructure and substructure matching, query matching and similarity between structures. Isomorphism algorithms provide accurate comparison information regardless of how the user drew the correct structure (as opposed to SMILES comparison, for instance). ChemDoodle uses advanced graph isomorphism algorithms to quickly and completely compare two structures (or groups of structures). The ability to match molecules is an important part of any chemical software system. Arrows must be pointing in the right direction and define the correct number of electrons. The algorithm will automatically match drawn mechanisms for you, regardless of symmetry/kekule/etc. An impactful algorithm that we have been working on recently is mechanism matching.
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