Classic Training - Revision history

Kristina at 14:17, 12 December 2014

2014-12-12T14:17:39Z

← Older revision		Revision as of 14:17, 12 December 2014
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	* '''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>		* '''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>
	* '''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>		* '''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>

	~~<br>~~
	<br>		<br>
	Right-click the user-defined training library to remove it from the list.		Right-click the user-defined training library to remove it from the list.

Kristina at 14:16, 12 December 2014

2014-12-12T14:16:54Z

← Older revision		Revision as of 14:16, 12 December 2014
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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'''.
	<br><br>		<br><br>
	[[File:classic_training_rightclick.png\|left]]		[[File:classic_training_rightclick.png\|left]]
	* '''New Library''' – ....<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>
	* '''Add Existing''' – ~~...<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>
	Browse for ~~a folder where you wish to save the new~~ library~~, and enter the desired name of the *.trn file~~. The newly added library appears under the ~~respective Trainable Libraries~~ group and is automatically loaded in the Spreadsheet workspace.
	<br>		<br>
	<br>		<br>
	Right-click the user-defined training library to remove it from the list.		Right-click the user-defined training library to remove it from the list.

Kristina at 10:20, 15 September 2014

2014-09-15T10:20:45Z

← Older revision		Revision as of 10:20, 15 September 2014
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	<br><br>		<br><br>
	[[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''' – ....<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''' – ...<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>~~		Browse for a folder where you wish to save the new library, and enter the desired name of the *.trn file. The newly added library appears under the respective Trainable Libraries group and is automatically loaded in the Spreadsheet workspace.
	~~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.		<br>
			<br>
			Right-click the user-defined training library to remove it from the list.

Kristina: Created page with "'''Classic Training''' data source.

left * '''New Substituent Set''' – select to create an empty project and edit it in th..."

2014-09-15T10:17:08Z

Created page with "'''Classic Training''' data source. left * '''New Substituent Set''' – select to create an empty project and edit it in th..."

New page

'''Classic Training''' data source.
 
[[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. 
* '''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''. 
* 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. Right-click any substituent set to close or save it. 
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.

Classic Training - Revision history

Kristina at 14:17, 12 December 2014

Kristina at 14:16, 12 December 2014

Kristina at 10:20, 15 September 2014

Kristina: Created page with "'''Classic Training''' data source. left * '''New Substituent Set''' – select to create an empty project and edit it in th..."

Kristina: Created page with "'''Classic Training''' data source.

left * '''New Substituent Set''' – select to create an empty project and edit it in th..."