Table 1 Number of molecules belonging to each scaffold in the DATASET1, referred to by their full chemical name and short name. “Other” corresponds to an ensemble of compounds with various scaffolds that are not part of the scaffolds of interest.

From: Ligand-based machine learning models to classify active compounds for prostaglandin EP2 receptor

Full name

Short name

number

N,N-alkyl, alkoxy-sulfonamide

sulfonamide

159

N,N-alkyl, alkoxy-amide

amide

260

1,2,3,4,5-alkyl, alkoxy-cyclopentane

cyclopentane

128

Other

other

263