Captions for Supplementary Material
ÒExhaustive Enumeration of Molecular SubstructuresÓ
Figure S1 Subgraph counts, S(N,m), of each size, m,Êfor straight chain alkanes up to length NÊ=Ê12.
Figure S2 Subgraph counts, S(N,m), of each size, m,Êfor monocyclic rings up to size NÊ= 12.
Figure S3 Subgraph counts, S(N,m), of each size, m,Êfor a selection of cages up to size NÊ= 12.
Figure S4 Numbers of distinct moieties, M(N,m), of each size, m,Êfor single oxygen-substituted chains of length NÊ= 12 ordered by position of substitution.
Figure S5 Numbers of distinct moieties, M(N,m), of each size, m,Êfor oxygen-substituted chains of length NÊ= 12 ordered by position of substitution: none; 1Ê(alcohol), 1,2 (peroxide); 1,3; 1,4; and 1,5.
Figure S6 Numbers of distinct moieties, M(N,m), of each size, m,Êfor straight chains up to 12 atoms with oxygen atoms substituted for the carbons in the terminal and 4th positions.
