chemsketch

This application is a handy and complex chemical structure creator.

Visualize a chemically intelligent drawing interface that provides a portal to an entire range of analytical tools, and facilitates the transformation of structural or analytical data into professional, easy-to-decipher reports or presentations.

Advanced Chemistry Development, Inc., (ACD/Labs) has developed such an interface, and has integrated it with every desktop software module they produce. To date, over 800,000 chemists have incorporated ACD/Labs' chemical drawing and graphics package, ACD/ChemSketch, into their daily routines. Academic institutions worldwide have adopted this software as an interactive teaching tool to simplify and convey chemistry concepts to their students, and publishing bodies such as Thieme, the publisher of Science of Synthesis, consider it to be "...supportive of the organic chemistry publisher's role, both in the construction of compounds and their basic analysis."

ACD/ChemSketch is an advanced chemical drawing tool and is the accepted interface for the industry's best NMR and molecular property predictions, nomenclature, and analytical data handling software.

Here are some key features of "ACD/ChemSketch":

· Drawing of Molecular Structures
· Select atom, click, and drag to create bonds.
· "Chemical intelligence" automatically assigns hydrogen atoms and charges to fill valence and shows when the valence limit of bonding has been exceeded.
· Create chemical structures from InChI and SMILES codes.
· Wide range of special bond types - aromatic, delocalized, undefined single and double stereo, quadruple, and several presentations of coordination bonds.
· Draw Markush structures (generic view), structures with delocalization and polymers.
· Create special Markush structures with added or removed mass or fragments to describe metabolic and mass-spectral transformations.
· Present reactions: draw, import/export, map atom-atom transformation (manual as well as automatic), and edit reaction conditions.
· Customize display properties, e.g., atom numbering, chemical symbols, valence, and so forth.
· Control Hydrogen position near each atom.
· Hundreds of structures in the template window.
· Use the "Clean" option for the entire molecule or user-selected fragments.
· Change a drawing's appearance to a different style (e.g., J. Org. Chem. style) in one step.
· Paste structures drawn in other applications or import them as a file.
· Apply powerful 3D and 2D rotation, and move/resize features.

· Structure Search
· Our Search for Structure system allows you to seek out chemical structures in various file formats throughout your computer's file systems. These formats include: SK2, MOL, SDF, SKC, CHM, CDX, RXN, and PDF (Adobe Acrobat); DOC (Microsoft Word), XLS (Microsoft Excel), and PPT (Microsoft PowerPoint), and ACD/Labs databases: CUD, HUD, CFD, NDB, ND5, and INT. Microsoft Word documents with structures created in ChemDraw or MDL ISIS can also be retrieved. Not only can you perform exact structure searches, but you can also search by substructure. Added options allow you to preview search results, open search result documents in ChemSketch as well as in other applications, and store search results for later access.
· Chemistry


· Draw 2D structures and obtain 3D models with the geometry optimization button.
· Instantly display chemical formula, molecular weight, percentage composition, and estimated macroscopic properties: molar refractivity, refractive index, molar volume, density, parachor, and others.
· Generate InChI unique identifiers for chemical structures and chemical structures from InChI.
· Expanded Periodic Table of Elements includes physical and NMR properties and isotope composition for each element. Images of elements in their natural form are included.
· Draw reactions and complex chemical schemes with manual or automatic mapping.
· Calculate quantities for chemical reactions and solutions.
· Update the internal database of fragment names and abbreviations with your own data.
· Spell-check chemical abbreviated structures.
· Save and read standard graphic formats (PDF, BMP, WMF, GIF, PNG, JPG, TIFF, and PCX).

· Reporting
· Create professional chemistry-related reports and presentations.
· Export your ChemSketch files to Adobe Acrobat PDF format.
· Cut and paste structures and chemical information directly into your favorite Windows application and maintain OLE links.
· With ChemSketch Goodies, convert your pages into HTML.
· Use other ACD/Labs data (i.e., 1D NMR Spectrum) to generate stunning reports and presentations.
· Create templates for generating reports from other ACD/Labs products by your own rules or company standards.
· Document properties option that includes user and document information.
· Create templates for ChemSketch documents including owner, date, file name, page numbers, and various data.
· Simplify document editing and print only high quality documents using the Print Preview option for up to 10,000 pages.

· Enhanced Graphics
· General drawing tools such as lines, polygons, Bezier curves, and arrows.
· Custom graphic templates.
· Numerous colors and object styles.
· Enhanced text processing.
· Create tables, edit a quantity of columns and rows, change their size, insert and remove any object into (from) table cells, auto-split large tables keeping logical integrity of a table (virtual tables), etc.
· Rotate text & graphics.
· Chemistry-specific graphics such as electron orbitals (s, p, d, f) and Lewis dot(s).
· Save and read standard graphic formats (PDF, BMP, WMF, GIF, TIFF, and PCX).

· ACD/Dictionary
· ACD/3D Viewer
· ACD/Name (Restricted Freeware Version)
· ACD/Tautomers
· ACD/Labs Extension for ChemDraw
· ACD/I-Lab Add-on for ChemSketch
· ACD/ChemBasic and the Goodies Package
· SDF Viewer (restricted Version of ACD/ChemFolder)