1.10.2. Importing Attributes

FILE>>Import>>Compound Attributes launches the Load compound attributes wizard, which allows you to read in attribute values from a file and associate them with the corresponding compounds in the spreadsheet.

Attributes can be loaded from a tab-delimited text file, from an SD file or from a PNO ("predicted vs observed") file generated by ADMET Modeler. Text files must contain two or more columns, where the first column contains the compound identifier to be matched in the spreadsheet and subsequent columns contain compound attributes.

Attribute names in text files are taken from the first line of the file if you check the First line of file contains column labels... box ON. Otherwise attribute names will be created by appending an integer count to the prefix ATTR_ to yielding ATTR_1, ATTR_2, and so on.

SD files must contain a field for the compound identifier, which you need to specify later in the import process.