Application for drawing publication-quality molecular structures and reactions. The Help page contains a thorough help guide. The Calculate page calculates properties and the Spectra page simulates NMR spectra. The Draw window shows a typical ChemDoodle sketcher, where you can draw and store your structures. There are four main windows: Draw, Calculate, Spectra and Help. ChemDoodle Mobile is a calculator for drawn organic structures. Desktop tool for drawing chemical and biological structures, into the MS Office suite. Allows Copy/Paste to ChemDraw, ISIS/Draw, SciFinder and Word. Tool for drawing chemical and biological structures, optimized for Touch Operations. iPad application to create, edit and share publication-quality chemical structures with just the touch of a finger, based on the world’s most popular chemical drawing software, ChemDraw.
Chemical structure environment with a main focus on 2D graphics and publishing to create media for structures, reactions and spectra. Free of charge for academic and personal use. Chemical structure drawing program for Windows, published by MDL Information Systems. The 3D editor allows addition, modification, replacement and deletion of atoms, bonds and groups, with Undo and Redo operations. Provides features to build a molecule from scratch using 2D Draw and conversion to 3D. The visualization of patterns is based on the visualization concept of the SMARTSviewer.Freely available for linux systems with 32 and 64 bit, windows 32bit systems and MacOS. Based on the SMARTS language, chemical patterns can be created and edited interactively, similar to molecule editing in a chemical structure editor. Graphic editing tool for generic chemical patterns. Useful in combinatorial chemistry, drug design, or other areas where a large number of compounds need to be analyzed. Tool of JChem for clustering, diversity calculations, and library comparisons based on molecular fingerprints and other descriptors. Physicochemical properties can be calculated, structure activity relationship tables can be created and activity cliffs be visualized. Calculated compound similarities can be used for multidimensional scaling methods, e.g. Compounds can be clustered and diverse subsets can be picked. Scatter plots, box plots, bar charts and pie charts not only visualize numerical or category data, but also show trends of multiple scaffolds or compound substitution patterns. DataWarrior combines dynamic graphical views and interactive row filtering with chemical intelligence.
Free Cheminformatics Program for Data Visualization and Analysis. Also available as freeware, with tools for 2D structure cleaning, 3D optimization and viewing, InChI generation and conversion, drawing of polymers, organometallics, and Markush structures. Advanced chemical editor for drawing chemical structures, queries and reactions developed by ChemAxon. Molecule editor developed by the cheminformatics company CambridgeSoft.
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