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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Published in | Journal of cheminformatics Vol. 16; no. 1; pp. 94 - 11 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
Cham
Springer International Publishing
07.08.2024
BioMed Central Ltd Springer Nature B.V BMC |
Subjects | |
Online Access | Get full text |
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