Hamiltonian diversity: effectively measuring molecular diversity by shortest Hamiltonian circuits

In recent years, significant advancements have been made in molecular generation algorithms aimed at facilitating drug development, and molecular diversity holds paramount importance within the realm of molecular generation. Nonetheless, the effective quantification of molecular diversity remains an...

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Bibliographic Details
Published inJournal of cheminformatics Vol. 16; no. 1; pp. 94 - 11
Main Authors Hu, Xiuyuan, Liu, Guoqing, Yao, Quanming, Zhao, Yang, Zhang, Hao
Format Journal Article
LanguageEnglish
Published Cham Springer International Publishing 07.08.2024
BioMed Central Ltd
Springer Nature B.V
BMC
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