Table 1 Commonly used datasets
From: Discrimination of approved drugs from experimental drugs by learning methods
Dataset | Number of compounds |
|---|---|
Comprehensive Medicinal Chemistry (CMC) [35] | > 8000 compounds used or studied as medicinal agents |
World Drug Index (WDI) [35] | > 80,000 marketed and development drugs worldwide |
MACCS-II Drug Data Report (MDDR) [35] | >100,000 drugs launched or under development |
Available Chemicals Directory (ACD) [B35] | > 1,160,000 unique chemicals |