Classic Training: Difference between revisions

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'''Classic Training''' data source.  
'''Classic Training''' data source provides access to the libraries in PCD (PhysicoChemical Database) format that are used for training the Classic versions of physicochemical property calculation algorithms: '''ACD/LogP''', '''ACD/pKa''' and '''ACD/Solubility'''.
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[[File:classic_training_rightclick.png|left]]
[[File:classic_training_rightclick.png|left]]
* '''New Substituent Set''' – select to create an empty project and edit it in the '''[[Spreadsheet View|Spreadsheet]]''' workspace. Here you can from create a new set of substituents from scratch. Note that the built-in Structure Editor displays a special tool that allows you to mark the attachment point "R" when editing the structures in a '''Substituents''' project.<br><br>
* '''New Library''' – Browse for a folder where you wish to save the new library, and enter the desired name of the *.pcd file. The newly added library appears under the Classic Training group and is automatically loaded in the Spreadsheet workspace.<br><br>
* '''My Substituent Set''' – a default name that is given to a new project before it is saved and named by the user. Substituent sets created by automatic tools are given other default names, such as ''Retrosynth'' or ''ReplacedFragments''.<br><br>
* '''Add Existing''' – Browse for an existing training library in PCD format. The newly added library appears under the Classic Training group and is automatically loaded in the Spreadsheet workspace.<br><br>
* All currently opened Substituent sets are listed under the '''Substituents''' node in the '''Data source''' panel. The user can switch between them by selecting the one of interest. <br><br>Right-click any substituent set to close or save it.<br><br>
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Similarly to usual projects, the substituent files that are currently closed, by have been most recently opened in '''ACD/Percepta''' are listed under the '''Recent projects''' node. Select any of these previously saved file to quickly re-open it.
Right-click the user-defined training library to remove it from the list.

Latest revision as of 14:17, 12 December 2014

Classic Training data source provides access to the libraries in PCD (PhysicoChemical Database) format that are used for training the Classic versions of physicochemical property calculation algorithms: ACD/LogP, ACD/pKa and ACD/Solubility.

classic training rightclick.png
  • New Library – Browse for a folder where you wish to save the new library, and enter the desired name of the *.pcd file. The newly added library appears under the Classic Training group and is automatically loaded in the Spreadsheet workspace.

  • Add Existing – Browse for an existing training library in PCD format. The newly added library appears under the Classic Training group and is automatically loaded in the Spreadsheet workspace.


Right-click the user-defined training library to remove it from the list.

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