• Molecule Drawing Program Free
• Online Molecule Drawing Program

Software for drawing chemical structures and molecules.

ISIS/Draw was a chemical structure drawing program for Windows, published by MDL Information Systems. It was available free of charge for academic and personal use. It acted as a front end to ISIS/Base, a chemical database program from the same company, as well as some other ISIS (Integrated Scientific Information System) products. The first version of the program was released in 1990, and the last version was 2.5 in 2002; it has since been superseded by Symyx Draw.

ISIS/Draw used its own proprietary file format, with the extension .skc, and also supported standard chemical file formats such as MDL molfile, Rxnfile, and TGfile. Because of its role as a database query preparation program, ISIS/Draw supported a variety of special atom and bond types used for substructure searching, such as wildcard atoms, aromatic bonds, and ring bonds, as well as atom mapping, required for reaction searches.

While ISIS/Draw was mainly a 2D drawing program, it had some 3D rotation features and could interface with Rasmol for 3D visualization and rendering. ISIS/Draw also included structure and reaction validation features and could calculate elementary properties such as formula and molecular weight.

Now Accelrys Draw serves as a replacement of ISIS/Draw. The newest version is 4.0, as of March 2011. As with ISIS/Draw, the program is available free to academics.^[1]

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References[edit]

1. ^http://accelrys.com/products/informatics/cheminformatics/draw/no-fee.php

General

• Li, Z.; Wan, H.; Shi, Y.; Ouyang, P. (2004). 'Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch'. J. Chem. Inf. Comput. Sci.44 (5): 1886–1890. doi:10.1021/ci049794h. PMID15446849.
• Johann Gasteiger, Thomas Engel (2003). Chemoinformatics: A Textbook. Wiley-VCH. p. 143. ISBN3-527-30681-1.
• Dalby, Arthur; Nourse, James G.; Hounshell, W. Douglas; Gushurst, Ann K. I.; Grier, David L.; Leland, Burton A.; Laufer, John (1992). 'Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited'. J. Chem. Inf. Comput. Sci.32 (3): 244–255. doi:10.1021/ci00007a012..

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A molecule editor is a computer program for creating and modifying representations of chemical structures.

Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages.

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Database molecular editors such as Leatherface,^[1] RECAP,^[2] and Molecule Slicer^[3] allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user.

Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively.

Files generated by molecule editors can be displayed by molecular graphics tools.

Standalone programs[edit]

Java Applets[edit]

JavaScript embeddable editors[edit]

Molecule Drawing Program Free

Online editors[edit]

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Mobile editor apps[edit]

See also[edit]

Online Molecule Drawing Program

Notes and references[edit]

1. ^Kenny, P.W.; Sadowski, J. (2005) Structure modification in chemical databasesChemoinformatics in drug discovery (editor: Oprea, T.I.), 271-285 (Wiley).
2. ^Lewell, X.Q.; Judd, D.B; Watson, S.P.; Hann, M.M. (1998) RECAP-Retrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial ChemistryJ. Chem. Inf. Comput. Sci. 38, 511-522.
3. ^Vieth, M.; Siegel, M.G.; Higgs, R.E.; Watson, I.A.; Robertson, D.H.; Savin, K.A.; Durst, G.L.; Hipskind; P.A. (2004) Characteristic Physical Properties and Structural Fragments of Marketed Oral DrugsJ. Med. Chem. 47, 224-232.

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