Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration

Bellmann, L; Penner, P; Rarey, M

Rarey, M (reprint author), Univ Hamburg, ZBH Ctr Bioinformat, Res Grp Computat Mol Design, Bundesstr 43, D-20146 Hamburg, Germany.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019; 59 (11): 4625