@D_B_McConnell interesting post. actually, chemical space size (CSsize) increases "more than linear" in function of heavy atom count(HAC). also based on GDB17, the below work fits log(CSsize)=a*HAC*log(HAC)+b. this leads to a number of 1e33 molecules for H
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10 to power 33 assuming Lipinski's rule is valid. Estimation of the size of drug-like chemical space based on GDB-17 data https://t.co/mQCZO7FrU4
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@pwk2013 @curiouswavefn @neysanev @Chemjobber Also depends on how you count Polischek et al 'predict' 10^33 https://t.co/2kvj0euui0