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A review of Innovative Chemical Drawing and Spectra Prediction Computer Software

Manish Kaushik

Abstract


In recent years there has been an increasing research emphasis on complex macromolecular systems. These include polymers and coordination compounds with precise control of structures, multicomponent systems with higher degrees of organization, they involved in confined environments, nanochemistry and nanostructures, biopolymers and bio-inspired chemistry. Successful Spectroscopic studies of these complexes require judicious applications of existing techniques and development of new or improved strategies and methodologies. In this article various Chemical drawing and Spectra prediction computer software are compared and analyzed for their role in research in complex macromolecular systems. We have compared various software like Accelrys (Symyx) Draw, ChemDraw (ChemBioDraw), DrawIt, ChemSketch, ChemDoodle, Chemistry 4-D Draw, MarvinSketch and MestreNova NMR Predict.

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References


-Accelrys (Symyx) Draw 4.1 (Symyx Technologies, Inc) URL: http://accelrys.com/products/informatics/cheminformatics/draw/

- ChemBioDraw Ultra 13.0; CambridgeSoft Corporation, Cambridge, MA, USA; URL:http://www.cambridgesoft.com/Ensemble_for_Chemistry/ChemBioDraw/Default.aspx.

- DrawIt2013.1 (KnowItAll Academic Edition); Bio-Rad Laboratories Informatics Division, Philadelphia PA, USA; URL: http://www.chemwindow.com or http://www.bio-rad.com

- ACD/ChemSketch 2012 1.04; Advanced Chemistry Development, Inc, Toronto, Canada; URL: http://www.acdlabs.com

- Chemistry 4-D Draw 8.4.6; ChemInnovation Software Inc., San Diego, USA; URL: http://www.cheminnovation.com

- ChemDoodle 6.0.0, iChemLabs LLC, Piscataway, NJ, USA; U RL: http://www.chemdoodle.com

-Mesterlab Research MestreNova NMR Predict Desktop 9.0.0 (Mesterlab Research) URL: http://mestrelab.com/software/mnova-nmrpredict-desktop/

- MarvinSketch 6.2.1, ChemAxon Ltd, Budapest, Hungary; URL: http://www.chemaxon.com

- ChemBioDraw Review URL: http://macinchem.org/reviews/chembiodraw_12/chembiodraw-12.php

- David Bradley: Chemical Structure Drawing Software, URL: http://www.sciencebase.com/aug04_iss.html

- ChemDoodle Review. URL: http://www.macresearch.org/chemdoodle-3-review

- A Review of MarvinSketch. URL: http://www.macresearch.org/review-marvin




DOI: http://dx.doi.org/10.13171/mjc.3.1.2014.04.04.16

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