3D QSAR Model: Affinity Data Type Converter

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Models

Description

The 3D QSAR Model: Affinity Data Type Converter is a supplementary tool for converting affinity data from range or integer type to float type for model building.

User should only provide field name for one of the two types, otherwise floe will fail.

For range type affinity data in the form of (lower, upper), two options are available. “discard” will discard all entries where lower is not equal to upper. “use bound value” will take the average of lower and upper when both of them are finite, otherwise only the finite value is used.

Promoted Parameters

Title in user interface (promoted name)

Basic Convert Parameters

Field of Integer Type (in_integer_field): Field containing integer type affinity data.

  • Type: field_parameter::int

Field of Range Type (in_range_field): Field containing range type affinity data.

  • Type: field_parameter

Range Type Option (range_type_option): Options to convert range type data.

  • Type: string

  • Default: use bound value

  • Choices: [‘discard’, ‘use bound value’]