Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies - Lin, Arkadii; Dyubankova, Natalia; Madzhidov, Timur I.; Nugmanov, Ramil I.; Verhoeven, Jonas; Gimadiev, Timur R.; Afonina, Valentina A.; Ibragimova, Zarina; Rakhimbekova, Assima; Sidorov, Pavel; Gedich, Andrei; Suleymanov, Rail; et al. (Molecular Informatics, 2022)
Keywords: [CHIM.CHEM]Chemical Sciences/Cheminformatics; Algorithms; atom-to-atom mapping; Benchmarking; Benchmarks; Biochemical Phenomena; chemical reactions; Chemical Sciences; Cheminformatics; data cleaning; Databases, Factual; Datasets; Mapping; Mathematical analysis; data cleaning; atom-to-atom mapping; chemical reactions