Results
We implemented a specific feature-driven computer-aided pattern analysis (C@PA) to extract molecular-structural features of inhibitors of the model protein family of ATP-binding cassette (ABC) transporters. New molecular-structural features have been identified that successfully expanded the known multitarget modulator landscape of pan-ABC transporter inhibitors. The prediction capability was biologically confirmed by the successful discovery of pan-ABC transporter inhibitors with a distinct inhibitory activity profile. Availability and implementation: The multitarget dataset is available on the PANABC web page (http://www.panabc.info) and its use is free of charge.
Supplementary Information
Supplementary data are available at Bioinformatics online.