Assembly Theory bounds chemical space growth as super- to double-exponential in Assembly Index, yielding ~10^117 drug-like molecules at AI 25 after calibrating on GDB-13 and applying structural constraints.
Y ., Siebert, G., Walker, S
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Elucidating the Size of Chemical Space with Assembly Theory
Assembly Theory bounds chemical space growth as super- to double-exponential in Assembly Index, yielding ~10^117 drug-like molecules at AI 25 after calibrating on GDB-13 and applying structural constraints.