ACD/ChemSketch

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Overview:

The ACD/ChemSketch contains tools for 2D structure cleaning, 3D optimization and viewing, InChI generation and conversion, drawing of polymers, organometallics, Markush structures, etc.

The 3D optimization is based on modified molecular mechanics which take into account bond stretching, angle bending, internal rotation, and Van der Waals non-bonded interactions.

Project Website:

Link to ACD/ChemSketch

Link to ACD/3D Viewer

References

  1. Li, Z and Wan, H and Shi, Y and Ouyang, P. Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 44(5):1886--1890, 2004. BibTeX [li04]

Cedric Mumford. School Science Review, June 2003, 84 (309) Link

Pavel Simakov. Science, 2001, Vol. 291, No. 5511, Page 2179-2181. Link

Gary O. Spessard. J. Chem. Inf. Comput. Sci., 1998, Vol. 38, No. 6, 1250-1253. DOI: 10.1021/ci980264t

Sadanand Pathre. Predicting 13C NMR Spectra: ACD/CNMR. Analytical Chemistry, 1996, 68, 740A-741A. Link

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