Using ACD/Percepta - Revision history

Kirilas: Updated for 2021.1 release

2021-07-28T08:31:10Z

Updated for 2021.1 release

← Older revision		Revision as of 08:31, 28 July 2021
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	<li>Click '''Configure''' to set the default spreadsheet template for use in subsequently created projects. All saved templates should be automatically displayed in the listbox, unless saved to a non-standard location. In that case you may need to click '''...''' button and manually navigate to the folder containing the template file (.chstpl extension).<br>[[File:configure_spreadsheet_templates.png]]</li><br>		<li>Click '''Configure''' to set the default spreadsheet template for use in subsequently created projects. All saved templates should be automatically displayed in the listbox, unless saved to a non-standard location. In that case you may need to click '''...''' button and manually navigate to the folder containing the template file (.chstpl extension).<br>[[File:configure_spreadsheet_templates.png]]</li><br>
	<li>Check the box to make the default template mandatory for all new projects created by Non-Expert users. In this case, their newly created projects will automatically contain all columns stored in the template. This option has no effect on Expert users.</li><br>		<li>Check the box to make the default template mandatory for all new projects created by Non-Expert users. In this case, their newly created projects will automatically contain all columns stored in the template. This option has no effect on Expert users.</li><br>
	<li>Set the default molecule editor that will be launched after clicking [[File:Edit_pictogram.png]] in Module view or '''Edit Structure''' dialog boxes. Currently, an internal editor that is displayed within '''ACD/Percepta''' window, and external Accelrys Draw editors are supported.</li><br>		<!--<li>Set the default molecule editor that will be launched after clicking [[File:Edit_pictogram.png]] in Module view or '''Edit Structure''' dialog boxes. Currently, an internal editor that is displayed within '''ACD/Percepta''' window, and external Accelrys Draw editors are supported.</li><br>-->
	<li>Set the number of molecules (each occupying a single column) to be displayed per page in the PDF reports generated from Spreadsheet view</li>		<li>Set the number of molecules (each occupying a single column) to be displayed per page in the PDF reports generated from Spreadsheet view</li>
			<li>Check this option to include two additional fields in the output produced by GALAS models in Spreadsheet. These auxiliary fields are the individual constituents of the overall Reliability Index (RI) value: Similarity Index (SI) and Data-Model Consistency Index (DMCI). Check the topic on [[Trainable Models]] and technical information about the relevant Prediction Modules for more details.</li>
			<li>Activate or deactivate the extended tooltips providing detailed [[Context Help]] on various components of the user interface.</li>
	</ol><br />		</ol><br />
	\|}		\|}

Kirilas: Updated for 2016 release

2016-06-07T09:56:57Z

Updated for 2016 release

← Older revision		Revision as of 09:56, 7 June 2016
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	<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>		<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>
	<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>		<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>
	<li><span id="Expert Panel">'''~~Simple/~~Expert ~~view~~'''</span> ~~– toggles between Simple and Expert View of~~ the ~~modules. This feature is more relevant for larger companies or laboratories with~~ '''~~ACD/Percepta~~''' ~~installed on multiple seats~~. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert ~~View~~ to ~~pre-~~configure the default settings for these modules~~, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves~~.~~<br>When the~~ '''~~Expert view~~''' is ~~enabled~~, ~~i.e.~~ the ~~icon looks like~~ [[Image:~~Expert~~.png]], ~~click~~ the ~~[[Image:spannericon~~.~~png]] icon to open '''Expert Panel''':<br>~~<br>		<li><span id="Expert Panel">'''Expert Panel'''</span> - Opens the '''Expert Panel''' window. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the '''Expert Panel''' to configure the default settings for these modules. If '''ACD/Percepta''' is installed with restricted privileges, the [[Image:spannericon.png]] icon is not available, so that the users will not need to deal with the settings themselves, and the calculations will always be performed using the pre-configured defaults.<br>

	{\|		{\|

Kristina at 12:31, 9 January 2015

2015-01-09T12:31:30Z

← Older revision		Revision as of 12:31, 9 January 2015
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	\|[[File:expert_panel.png]]		\|[[File:expert_panel.png]]
	\| style="vertical-align:top; text-align:left;" \|<ol style="list-style-type:lower-latin">		\| style="vertical-align:top; text-align:left;" \|<ol style="list-style-type:lower-latin">
	<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>		<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li><br>
	<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>		<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>
	<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li>		<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li><br>
	<li>Click '''Configure''' to set the default spreadsheet template for use in subsequently created projects. All saved templates should be automatically displayed in the listbox, unless saved to a non-standard location. In that case you may need to click '''...''' button and manually navigate to the folder containing the template file (.chstpl extension).<br>[[File:configure_spreadsheet_templates.png]]</li>		<li>Click '''Configure''' to set the default spreadsheet template for use in subsequently created projects. All saved templates should be automatically displayed in the listbox, unless saved to a non-standard location. In that case you may need to click '''...''' button and manually navigate to the folder containing the template file (.chstpl extension).<br>[[File:configure_spreadsheet_templates.png]]</li><br>
	<li>Check the box to make the default template mandatory for all new projects created by Non-Expert users. In this case, their newly created projects will automatically contain all columns stored in the template. This option has no effect on Expert users.</li>		<li>Check the box to make the default template mandatory for all new projects created by Non-Expert users. In this case, their newly created projects will automatically contain all columns stored in the template. This option has no effect on Expert users.</li><br>
	<li>Set the default molecule editor that will be launched after clicking [[File:Edit_pictogram.png]] in Module view or '''Edit Structure''' dialog boxes. Currently, an internal editor that is displayed within '''ACD/Percepta''' window, and external Accelrys Draw editors are supported.</li>		<li>Set the default molecule editor that will be launched after clicking [[File:Edit_pictogram.png]] in Module view or '''Edit Structure''' dialog boxes. Currently, an internal editor that is displayed within '''ACD/Percepta''' window, and external Accelrys Draw editors are supported.</li><br>
	<li>Set the number of molecules (each occupying a single column) to be displayed per page in the PDF reports generated from Spreadsheet view</li>		<li>Set the number of molecules (each occupying a single column) to be displayed per page in the PDF reports generated from Spreadsheet view</li>
	~~<br>~~
	</ol><br />		</ol><br />
	\|}		\|}

Kristina at 14:01, 12 December 2014

2014-12-12T14:01:52Z

← Older revision		Revision as of 14:01, 12 December 2014
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	<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>		<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>
	<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li>		<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li>
	<li>...</li>		<li>Click '''Configure''' to set the default spreadsheet template for use in subsequently created projects. All saved templates should be automatically displayed in the listbox, unless saved to a non-standard location. In that case you may need to click '''...''' button and manually navigate to the folder containing the template file (.chstpl extension).<br>[[File:configure_spreadsheet_templates.png]]</li>
	<li>...</li>		<li>Check the box to make the default template mandatory for all new projects created by Non-Expert users. In this case, their newly created projects will automatically contain all columns stored in the template. This option has no effect on Expert users.</li>
			<li>Set the default molecule editor that will be launched after clicking [[File:Edit_pictogram.png]] in Module view or '''Edit Structure''' dialog boxes. Currently, an internal editor that is displayed within '''ACD/Percepta''' window, and external Accelrys Draw editors are supported.</li>
			<li>Set the number of molecules (each occupying a single column) to be displayed per page in the PDF reports generated from Spreadsheet view</li>
	<br>		<br>
	</ol><br />		</ol><br />

Kristina at 14:04, 10 September 2014

2014-09-10T14:04:16Z

← Older revision		Revision as of 14:04, 10 September 2014
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	<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>		<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>
	<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>		<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>
	<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.~~[[File:expert_panel.png\|right]]~~<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:spannericon.png]] icon to open '''Expert Panel''':<br><br>		<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:spannericon.png]] icon to open '''Expert Panel''':<br><br>
	<ol style="list-style-type:lower-latin">
			{\|
			\|- style="vertical-align:top;"
			\|[[File:expert_panel.png]]
			\| style="vertical-align:top; text-align:left;" \|<ol style="list-style-type:lower-latin">
	<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>		<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>
	<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>		<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>
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	<li>...</li>		<li>...</li>
	<li>...</li>		<li>...</li>
	</ol><br>		<br>
			</ol><br />
			\|}
	Various configuration options are also accessible directly from the respective modules, while in LogP and pKa module groups, dedicated modules are displayed for different calculation algorithms. When '''Simple View''' is enabled, single LogP and pKa modules are listed, while the '''Expert Panel''' and other configuration functionality is not available.</li><br>		Various configuration options are also accessible directly from the respective modules, while in LogP and pKa module groups, dedicated modules are displayed for different calculation algorithms. When '''Simple View''' is enabled, single LogP and pKa modules are listed, while the '''Expert Panel''' and other configuration functionality is not available.</li><br>

	<li>'''Help''' – Opens the '''ACD/Percepta''' Online Help in a separate web browser window.</li><br>		<li>'''Help''' – Opens the '''ACD/Percepta''' Online Help in a separate web browser window.</li><br>
	<li>'''Information''' – Opens the '''About Box''' that displays a list of all installed '''ACD/Percepta''' modules. Click OK to close this window.</li>		<li>'''Information''' – Opens the '''About Box''' that displays a list of all installed '''ACD/Percepta''' modules. Click OK to close this window.</li>
	</ol>		</ol>

Kristina at 13:39, 10 September 2014

2014-09-10T13:39:13Z

← Older revision		Revision as of 13:39, 10 September 2014
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	<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>		<li>Click '''Configure''' to set the training options for a particular model.<br>[[File:expert_panel_configure.png]]<br><br></li>
	<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li>		<li>Check the box to set automatic tautomer selection mode for all compounds submitted for calculation.</li>
			<li>...</li>
			<li>...</li>
	</ol><br>		</ol><br>
	Various configuration options are also accessible directly from the respective modules, while in LogP and pKa module groups, dedicated modules are displayed for different calculation algorithms. When '''Simple View''' is enabled, single LogP and pKa modules are listed, while the '''Expert Panel''' and other configuration functionality is not available.</li><br>		Various configuration options are also accessible directly from the respective modules, while in LogP and pKa module groups, dedicated modules are displayed for different calculation algorithms. When '''Simple View''' is enabled, single LogP and pKa modules are listed, while the '''Expert Panel''' and other configuration functionality is not available.</li><br>

Kristina at 11:21, 10 September 2014

2014-09-10T11:21:07Z

← Older revision		Revision as of 11:21, 10 September 2014
Line 11:		Line 11:
	<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>		<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>
	<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>		<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>
	<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:~~Spanner_icon~~.png]] icon to open '''Expert Panel''':<br><br>		<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:spannericon.png]] icon to open '''Expert Panel''':<br><br>
	<ol style="list-style-type:lower-latin">		<ol style="list-style-type:lower-latin">
	<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>		<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>

Kristina at 11:19, 10 September 2014

2014-09-10T11:19:56Z

← Older revision		Revision as of 11:19, 10 September 2014
Line 11:		Line 11:
	<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>		<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>
	<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>		<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>
	<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:~~Preferences_icon~~.png]] icon to open '''Expert Panel''':<br><br>		<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:Spanner_icon.png]] icon to open '''Expert Panel''':<br><br>
	<ol style="list-style-type:lower-latin">		<ol style="list-style-type:lower-latin">
	<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>		<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>

Kristina at 10:51, 17 June 2013

2013-06-17T10:51:24Z

← Older revision		Revision as of 10:51, 17 June 2013
Line 11:		Line 11:
	<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>		<li>Type any text string in the text field to perform a quick search of a particular item.</li><br>
	<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>		<li>Switch between data sources or modules by clicking the appropriate Tree View item. Click "+" and "-" nodes to expand/collapse the corresponding module group.</li><br>
	<li>'''Simple/Expert view''' – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:Preferences_icon.png]] icon to open '''Expert Panel''':<br><br>		<li><span id="Expert Panel">'''Simple/Expert view'''</span> – toggles between Simple and Expert View of the modules. This feature is more relevant for larger companies or laboratories with '''ACD/Percepta''' installed on multiple seats. In several modules, a variety of different calculation algorithms and other configuration options are available. An expert administrator could use the Expert View to pre-configure the default settings for these modules, whereas all other users would work with Simple View, that always performs calculations using the pre-configured defaults, so that the users do not need to deal with the settings themselves.[[File:expert_panel.png\|right]]<br>When the '''Expert view''' is enabled, i.e. the icon looks like [[Image:Expert.png]], click the [[Image:Preferences_icon.png]] icon to open '''Expert Panel''':<br><br>
	<ol style="list-style-type:lower-latin">		<ol style="list-style-type:lower-latin">
	<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>		<li>Set the algorithms which will be used for logP, pKa and LogS calculation by default.</li>

Kristina at 10:09, 19 March 2013

2013-03-19T10:09:13Z

← Older revision		Revision as of 10:09, 19 March 2013
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	<br>		<br>
	<ol>		<ol>
	<li>The '''Data Source''' ~~panel~~ lists all data sets, projects, trainable libraries, and reference databases accessible with '''ACD/Percepta'''. They also can be accessed from the drop down menu in the upper part of the panel.</li><br>		<li>The '''Data Source panel''' lists all data sets, projects, trainable libraries, and reference databases accessible with '''ACD/Percepta'''. They also can be accessed from the drop down menu in the upper part of the panel.</li><br>
	<li>The '''Workspace panel''' displays a list of all installed '''ACD/Percepta''' modules. They also can be accessed from the drop down menu in the upper part of the panel.</li><br>		<li>The '''Workspace panel''' displays a list of all installed '''ACD/Percepta''' modules. They also can be accessed from the drop down menu in the upper part of the panel.</li><br>
	<li>Click the arrow button to expand/collapse the panels.</li><br>		<li>Click the arrow button to expand/collapse the panels.</li><br>