
Create plots within ChemBioFinder sub-forms.ChemBioViz is a visualization application which works with ChemBioFinder Ultra and allows users to correlate biological activity with chemical structures. Create Compound Profiles and visually compare and rank structures based on values of selected properties and the cost profile associated with each property. Descriptive statistics include minimum, maximum, mean, median, standard deviation and more. Calculate and display structure activity relationships, clustering relationships, and statistical data, including histograms, scatter, logarithmic plots, and dendrograms.
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Multiple structure file types are recognized, including cdx, mol, sdf, rxn and skc, and search results can be displayed or exported as SDfiles.ĬhemBioViz Pro is a rich toolkit for visualizing numeric data in ChemBioFinder. Features include the ability to perform RGroup Analysis, read graphic files from the database, Python programming and improved tautomeric searching.ĬhemBioFinder for Office locates and searches structure files contained in documents on your computer or network drives. Easily manage saved queries, access favorite databases, and view database structure via the dockable Explorer Window. Calculate values for physical properties, view and edit structures in a variety of modes, automatically create databases and forms for imported data, export and print.
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Browse, create, search, and update local databases with structural, numeric, and text data via user-customizable forms, including structural, sub-structural, and similarity queries, as well as linking to related data in sub-forms. Perform ab initio calculations with an interface to GAMESS.ĬhemBioFinder Ultra is the ultimate database management system for chemical structure and information databases.
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Build small molecules using the ChemDraw interface and see the 3D structure appear simultaneously, perform basic Molecular modeling computations such as Dihedral driver MM2 experiments, Molecular Mechanics and Dynamics. This premier application for desktop molecular modeling and protein visualization provides support for state-of-the-art open GL graphics and stereo hardware. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion, new Freehand Pen Tool, Annotation, and a Plasmid mapping tool are also included. Biological pathway drawing elements include membranes, DNA, enzymes, receptors, and reaction arrows. A new biopolymer toolbar enables creation of peptide, DNA and RNA sequences, including beta and D-amino acids, disulfide and lactam bridges and linkers and protecting groups. ChemBioDraw also offers customization options for Nicknames, Templates, and HotKeys, and adds a new Save to Dropbox feature. This ultimate chemistry and biology drawing application delivers all of the industry leading drawing, publishing and analytical features in ChemDraw combined with the biology features in BioDraw, providing a complete solution for chemical structure drawing and analysis combined with biological pathway drawing.ChemBioDraw Ultra chemical structure analysis tools include 13C and 1H NMR prediction with peak splitting and highlighting and choice of solvent, Struct=Name, ChemDraw/Excel, stoichiometric analysis, property predictions including pKa, LogD and LogS live-linked to the structure, a live-linked Database Gateway, fragmentation tools, TLC and Gel Electrophoresis plate drawing tools, and 3D structures live-linked to the 2D structure.
