Compiled Chemical Property Values Results Dialog
Applicability: Cranium, Synapse (core versions 0315+)

The Compile Chemical Values Dialog uses the Compiled Property Values Results Dialog to display the chemicals and property values resulting from its compliation. The dialog shows results in both tabular and graphical format.

Dialog Controls

The Results Dialog enables you to detail values, sort values, examine the values' distribution, and analyze summary statistics.

1
 Property Control: displays the property whose values were compiled.
2
 Constraints Control: shows the number of constraints used during the compilation processes. Constaints can be placed upon the property value or any of the state variables it depends upon.
3
 Show Button: activates the List Dialog which details each of the constraints used during the compilation process. See below for additional documentation.
4
 Status Control: displays the status of the compiled property values.
5
 Compiled Values Table: displays the compliled property values. Each table row displays the chemical's name, state variables, property value, and value status.
  • Clicking the left mouse button on a table row selects that row.
  • Clicking the left mouse button on a table row and dragging the mouse downward or upward while holding the button down, selects multiple rows.
  • Double clicking the left mouse button on a table row details that row's chemical.
6
 Distribution Graph Control: displays a histogram showing the distribution of values. See below for documentation.
7
 Value Statistics Control Group: displays several summary statistics calculated from the compiled values.
8
 Select All Button: selects all table rows that contain values.
9
 Select None Button: deselects all table rows.
10
 Consider Button: designates each selected table row as "considered" meaning that those selected values will be considered when calculating the histogram and summary statistics.
11
 Ignore Button: designates each selected table row as "ignored" meaning that those selected values will not be considered when calculating the histogram and summary statistics. Rows containing ignored values are draw in a light gray color.
12
 Bookmark Button: activates the Bookmark Select Dailog enabling you to add selected values to a bookmark or use an existing bookmark to consider or ignore values.
13
 Detail Button: activates the Chemical Detail Dialog enabling you to view selected chemicals' molecular structure and basic properties.
14
 Sort All Button: the dialog's Sort All button is enabled if two or more rows are selected. Pressing the Sort button activates the Sort Attribute dialog. This dialog enables you to sort all values in ascending or descending order by the selected attribute.
15
 Find Button: enables you to search and select for a chemical by name.
16
 Copy Names Button: copies the chemical names of selected table rows to the clipboard. Duplicate names are not copied.
17
 Copy Values Button: copies selected table rows to the clipboard. Each row's chemical name, state variables, value, and satus is copied.
18
 Copy Graph Button: copies the histogram graph to the clipboard.
Showing Constraints

If the compilation process used constraints on property values or state variables, the Show button will be enabled. Pressing the Show button activates the List dialog which displays each of these constraints.

Histogram Graph

The histogram graph is formed by dividing the range of property values into ten segments. The graph's ten bars corresponding to each of these ten segments.

1
 Bar Height: the height of each bar represents the relative number of values within that bar's segment.
2
 Red Curve: the red curve represents a normal distribution having the same mean and standard deviation as the compiled values.
3
 Blue Region: the light blue region denotes values within one standard deviation of the mean.
4
 Blue Diamond: indicates the coordinate of the currently selected table row value.
Related Documentation
Topic Description
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including a discussion of structure editing.
Estimating Chemical Properties a short video demonstrating how to estimate the physical properties of chemicals using either Synapse or Cranium.
Estimating Mixture Properties a short video demonstrating how to estimate the physical properties of mixtures using either Synapse or Cranium.