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Table 1 Fragments used in the enumeration process[19]

From: Druggable chemical space and enumerative combinatorics

Number Fragment Allow heteroatom attachment Enumeration weight
1 H yes 6
2 *CP yes 6
3 *CP,D,A yes 6
4 *NP no 6
5 *OT no 6
6 *OP no 6
7 *OD NA 6
8 P*C-O no 6
9 A*C = O yes 6
10 Phenyl (*C1,C2D) yes 1
11 *C = CP no 3
  1. Note that a single atom can serve more than one function. It can be (1) the point of initial attachment in a growing chain, (2) the point of propagation, (3) a donor or acceptor ring forming node.
  2. NA: Not applicable.
  3. *Location of initial attachment to growing chain.
  4. TTerminating node.
  5. PPropagating node.
  6. DRing forming donor node.
  7. ARing forming acceptor node.