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Figure 7 | Journal of Cheminformatics

Figure 7

From: Building an R&D chemical registration system

Figure 7

Examples of standardization rules and error check. (a-c) Some standardization rules are applied automatically by Accelrys Cheshire. (a) Nitrile group can be automatically redrawn linearly. (b) For a stereocenter it is not necessary to have two double up bonds and/or two double down bonds. (c) Up and/or Down bonds must be oriented to the stereocenter. (d-e) Some compounds can not be corrected, but can be detected as erroneous. (d) in this case it is not possible to determine the stereochemistry. (e) Valence is not correct. In some cases it is not possible to correct or detect automatically the error. (f-g) Some drawings meet technical limitations. (f) The configuration of the stereobond can not be determined. (g) The configuration of the stereocenter can not be determined.

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