Convert Fingerprint to Table

Extract fingerprints to table format. By choosing to omit bits using the settings below, the performance of the node will increase by only including bits/columns that are sufficiently populated. Using 0% and 100% for the omit parameters below respectively may result in an output data table that has a very large number of columns and may have a serious (negative) effect on performance.

Backend implementation

Options

Include additional molecule data fields in output fingerprints

If the fingerprints were generated with data fields, these will also be included in the output table.

Omit bits that are set by less than fraction

This value controls the columns in the output to exclude columns that have the percentage of rows set less than the percentage specified. Default: 1.0%

Omit bits that are set by more than fraction

This value controls the columns in the output to exclude columns that have the percentage of rows set more than the percentage specified. Default: 99.0%

Omit bits only set in single molecule

Omit bits set in all molecules

Force Binary Representation

If binary fp has been rescaled to continuous values, force binary (0,1) representation.

Include bits that are unset in all molecules

This option may consume large amounts of disk space and will be ignored unless the input FPs have been generated with reduced precision (reduced by at least 22 bits). All omit bits options will be ignored on selecting this option.

Views

Std output/error of Show Fingerprint

Std output/error of Show Fingerprint

Workflows

• No workflows found

Links

• No links available

Developers