Fig. 1
From: Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases
Names and indices of the 52 molecules in the AlphaML showcase database. (1–5) DNA/RNA nucleobases; (6–20) uncharged canonical amino acids (L-type); (21–25) popular pharmaceutical molecules; (26–29) open-chain and cyclic carbohydrates; and (30–52) 23 isomers of C8Hn. Throughout this work, these molecules will be specified by “showcase” followed by the corresponding index (padded to four digits with leading zeros, e.g., showcase0001 to showcase0052).
