Activity LockSmith Parameter Block

Function Select

enumerated choices: {Program|User}

The Function Select parameter specifies the method used to create the equation relating raw activity to LockSmith functionalized activity. The choices are:

Program automatically creates the function from an entered raw data range and dynamic range. If the range of activity (Raw Activity-Strong - Raw Activity-Weak) is on the order of the Dynamic Range, the created equation wil be linear; otherwise it will be created from a logarithmic equation of activity. The equation is constructed such that Raw Activity-Weak will be transformed to the functionalized activity of 1.00 and Raw Activity-Strong will be transformed to the functionalized activity of the value of, "Dynamic Range".

User provides a menu of Functional Forms that can be applied to the raw activity to generate the LockSmith functionalized activity.

Raw Activity-Weak

real number

The Raw Activity-Weak parameter is active if the Function Select parameter is set to Program. Enter the biological (or other) activity for the weakest or least active member of the molecule series.

Raw Activity-Strong

real number

The Raw Activity-Strong parameter is active if the Function Select parameter is set to Program. Enter the biological (or other) activity for the strongest or most active member of the molecule series.

Dynamic Range

real number

The Dynamic Range parameter (active if Function Select is Program) describes the desired range in functionalized activity between the least active and most active compounds. The least active compound will have a functionalized activity of 1.00 and the most active compound will have a functionalized activity of the value of Dynamic Range.

Functional Form

enumerated choices: {None|-Activity|log Activity|-log Activity|Activity **2|(log Activity)**2|(-log Activity)**2}

The Functional Form parameter (active if Function Select is User) contains a list of options that may be used to prepare the equation converting raw activity to LockSmith functionalized activity. The choices in this menu are:

None is used if the raw activity is to be used.

-Activity is used if only the mathematical sign of the activity is to be changed.

log Activity takes the log10 of the Activity.

-log Activity takes the sign-inverted log10 of the Activity.

Activity **2 takes the square of the Activity.

(log Activity)**2 squares the log10 of the Activity.

(-log Activity)**2 squares the sign-inverted log10 of the Activity.