MOL File

ADMET Predictor assumes that mol files (also called “molfiles”) have the same format as SD files, but are restricted to a single record and therefore contain no record delimiter.

Molfiles can be treated as a source of query records rather than simply molecule records. This allows a molfile to serve as the equivalent of a query file (*.cqf) in a number of ADMET Predictor tasks, including substructure search, class generation and filtering, among others.