Ranking - Revision history

Kristina at 14:28, 10 July 2012

2012-07-10T14:28:39Z

Kristina: /* How to sort data ascending/descending in a spreadsheet? */

2012-05-29T12:23:27Z

How to sort data ascending/descending in a spreadsheet?

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	=== How to sort data ascending/descending in a spreadsheet? ===		=== How to sort data ascending/descending in a spreadsheet? ===
	:Click on the sorting pictogram ([[File:~~sorticon~~.png\|Sorting Icon]]) in the column header to sort/un-sort the corresponding column instantly. The change of the sorting function state (sort ascending, sort descending, and unsorted – all cycling in a continuous loop) upon each click is represented by a corresponding change in the pictogram appearance.<br />		:Click on the sorting pictogram ([[File:Sorticon.png\|Sorting Icon]]) in the column header to sort/un-sort the corresponding column instantly. The change of the sorting function state (sort ascending, sort descending, and unsorted – all cycling in a continuous loop) upon each click is represented by a corresponding change in the pictogram appearance.<br />
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Kristina at 13:55, 23 May 2012

2012-05-23T13:55:45Z

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Kristina: /* How to perform compound ranking? */

2012-04-25T12:33:03Z

How to perform compound ranking?

Kristina: /* How to categorize a dataset? */

2012-04-25T12:30:06Z

How to categorize a dataset?

← Older revision		Revision as of 12:30, 25 April 2012
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	=== How to categorize a dataset? ===		=== How to categorize a dataset? ===
	# Click Calculate > Categories in the Spreadsheet menu.		# Click '''Calculate''' > '''Categories''' in the '''Spreadsheet''' menu bar.
	# Move the profiling functions of interest from the left to the right pane of the Categories Calculation List window to select them.		# Move the profiling functions of interest from the left to the right pane of the '''Categories Calculation List''' window to select them.
	# Click OK to proceed with the calculations. Each qualitative compound profile (Good, Average, Bad, Unknown) according to the corresponding property will be written to a separate new column of the spreadsheet.<br />		# Click '''OK''' to proceed with the calculations. Each qualitative compound profile (Good, Average, Bad, Unknown) according to the corresponding property will be written to a separate new column of the spreadsheet.<br />
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Kristina: /* How to delete intervals? */

2012-04-25T12:28:43Z

How to delete intervals?

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	Or:<br />		Or:<br />
	<ol start="2">		<ol start="2">
	<li>Click the corresponding trash bin icons displayed alongside the interval information in the Format Interval window. Open it by:</li>		<li>Click the corresponding trash bin icons displayed alongside the interval information in the '''Format Interval''' window. Open it by:</li>
	* clicking on any colored indicator located below the categorization slider,		* clicking on any colored indicator located below the categorization slider,
	* clicking on any square indicator of the interval color located to the right of the categorization slider		* clicking on any square indicator of the interval color located to the right of the categorization slider

Kristina: /* How to delete intervals? */

2012-04-25T12:27:29Z

How to delete intervals?

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	=== How to delete intervals? ===		=== How to delete intervals? ===
	:Place the cursor on the field where the intervals are designated. There are two ways to delete the intervals:<br />		Place the cursor on the field where the intervals are designated. There are two ways to delete the intervals:<br />
	# In the '''Column''' menu, drag any of the categorization slider indicators outside of the slider area. This eliminates the corresponding split and reduces the number of available intervals.<br />		# In the '''Column''' menu, drag any of the categorization slider indicators outside of the slider area. This eliminates the corresponding split and reduces the number of available intervals.<br />
	Or:<br />		Or:<br />

Kristina: /* How to delete intervals? */

2012-04-25T12:26:34Z

How to delete intervals?

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	Or:<br />		Or:<br />
	<ol start="2">		<ol start="2">
	<li>Click the corresponding trash bin icons displayed alongside the interval information in the Format Interval window. Open it by:<li>		<li>Click the corresponding trash bin icons displayed alongside the interval information in the Format Interval window. Open it by:</li>
	* clicking on any colored indicator located below the categorization slider,		* clicking on any colored indicator located below the categorization slider,
	* clicking on any square indicator of the interval color located to the right of the categorization slider		* clicking on any square indicator of the interval color located to the right of the categorization slider

Kristina: /* How to delete intervals? */

2012-04-25T12:25:56Z

How to delete intervals?

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	=== How to delete intervals? ===		=== How to delete intervals? ===
	:Place the cursor on the field where the intervals are designated. There are two ways to delete the intervals:<br />		:Place the cursor on the field where the intervals are designated. There are two ways to delete the intervals:<br />
	# In the Column menu, drag any of the categorization slider indicators outside of the slider area. This eliminates the corresponding split and reduces the number of available intervals.<br />Or:<br />		# In the '''Column''' menu, drag any of the categorization slider indicators outside of the slider area. This eliminates the corresponding split and reduces the number of available intervals.<br />
	# Click the corresponding trash bin icons displayed alongside the interval information in the Format Interval window. Open it by:		Or:<br />
			<ol start="2">
			<li>Click the corresponding trash bin icons displayed alongside the interval information in the Format Interval window. Open it by:<li>
	* clicking on any colored indicator located below the categorization slider,		* clicking on any colored indicator located below the categorization slider,
	* clicking on any square indicator of the interval color located to the right of the categorization slider		* clicking on any square indicator of the interval color located to the right of the categorization slider
	* or by double-clicking on the interval information text displayed alongside the square color indicators.<br />		* or by double-clicking on the interval information text displayed alongside the square color indicators.
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	[[Image:back.png\|link=Contents\|Back to Main Contents]] [[Image:top.png\|link=#toc\|right\|Return to Top]]<br />		[[Image:back.png\|link=Contents\|Back to Main Contents]] [[Image:top.png\|link=#toc\|right\|Return to Top]]<br />

Kristina: /* How to rearrange the widths of the intervals? */

2012-04-25T12:23:10Z

How to rearrange the widths of the intervals?

← Older revision		Revision as of 12:23, 25 April 2012
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	:* clicking on any square indicator of the interval color located to the right of the categorization slider,		:* clicking on any square indicator of the interval color located to the right of the categorization slider,
	:* or by double-clicking on the interval information text displayed alongside the square color indicators.		:* or by double-clicking on the interval information text displayed alongside the square color indicators.
	<ol start="2">		<ol start="4">
	<li>Enter a new split position value and click '''Insert''' to create a new interval. A new split and interval will be positioned automatically with respect to the already existing ones.</li>		<li>Enter a new split position value and click '''Insert''' to create a new interval. A new split and interval will be positioned automatically with respect to the already existing ones.</li>
	<li>Edit the existing interval positions and widths by manually entering property values into the corresponding dialog boxes.</li>		<li>Edit the existing interval positions and widths by manually entering property values into the corresponding dialog boxes.</li>

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	=== How to perform compound ranking? ===		=== How to perform compound ranking? ===
	# Click Calculate > Rank to perform compound ranking, i.e., the prioritization with respect to the favorable/unfavorable profile of the selected PhysChem, ADME or Tox properties ~~in the Spreadsheet menu~~.		# Click '''Calculate''' > '''Rank''' in the '''Spreadsheet''' menu bar to perform compound ranking, i.e., the prioritization with respect to the favorable/unfavorable profile of the selected PhysChem, ADME or Tox properties.
	# Move the fields of interest from the left pane (where a list of all the columns available for use in compound ranking is displayed) to the right pane of the Rank window to select them. Only fields containing qualitative category data (Good, Average, Bad, Unknown) can be used in rank calculation, therefore the list contains only the columns calculated using built-in categorization algorithms as well as columns containing any numerical (calculated within ACD/Percepta or imported) data that can be differentiated into aforementioned categories manually by the user.		# Move the fields of interest from the left pane (where a list of all the columns available for use in compound ranking is displayed) to the right pane of the '''Rank''' window to select them. Only fields containing qualitative category data (Good, Average, Bad, Unknown) can be used in rank calculation, therefore the list contains only the columns calculated using built-in categorization algorithms as well as columns containing any numerical (calculated within '''ACD/Percepta''' or imported) data that can be differentiated into aforementioned categories manually by the user.
	# Press OK to proceed with the compound ranking that outputs the calculation results into a new spreadsheet column ~~(please see below)~~.		# Press '''OK''' to proceed with the compound ranking that outputs the calculation results into a new spreadsheet column.
	# The newly calculated Rank column contains compound positions in the ranking list, i.e. the smaller this number is, the better is the analyzed profile for a particular molecule. Sort this column ascending to get your best compounds floating on top of the spreadsheet.<br />		# The newly calculated '''Rank''' column contains compound positions in the ranking list, i.e. the smaller this number is, the better is the analyzed profile for a particular molecule. Sort this column ascending to get your best compounds floating on top of the spreadsheet.<br />
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	:'''NOTE''': In the ranking score calculation “Unknown” category is treated as a most favorable following “Good”. This is because of the fact that both “Average” and “Bad” are obviously not “Good” while “Unknown” still retains a positive shade in the perspective, because “Unknown” can be as well found out to be “Good”. This means that the compounds with “Unknown” categories still carry substantial potential and are more interesting than their counterparts classified as “Average” in terms of the same properties even despite the fact that they require some further investigation.<br />		:'''NOTE''': In the ranking score calculation “Unknown” category is treated as a most favorable following “Good”. This is because of the fact that both “Average” and “Bad” are obviously not “Good” while “Unknown” still retains a positive shade in the perspective, because “Unknown” can be as well found out to be “Good”. This means that the compounds with “Unknown” categories still carry substantial potential and are more interesting than their counterparts classified as “Average” in terms of the same properties even despite the fact that they require some further investigation.<br />
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	[[Image:back.png\|link=Contents\|Back to Main Contents]] [[Image:top.png\|link=#toc\|right\|Return to Top]]<br />		[[Image:back.png\|link=Contents\|Back to Main Contents]] [[Image:top.png\|link=#toc\|right\|Return to Top]]<br />
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	=== How to remove ranking? ===		=== How to remove ranking? ===
	:Delete the '''Rank''' column by placing the cursor in this column and selecting '''Edit''' > '''Delete Col''' or right-clicking and selecting '''Delete Column'''.<br />		:Delete the '''Rank''' column by placing the cursor in this column and selecting '''Edit''' > '''Delete Col''' or right-clicking and selecting '''Delete Column'''.<br />