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Table 1 Other chemical entity types recognized by LeadMine using grammars.

From: LeadMine: a grammar and dictionary driven approach to entity recognition

Grammar name

Subtype

Example

Chemical formula

Sum formula

C20H25NO6

..

Line formula (complete molecule)

CH3CH2CH2Cl

..

Line formula (linker)

CH2CH2

..

Line formula (substituent)

CH3CH2

..

Salt

MgSO4

Oligomer

Peptide

Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2

..

Oligosaccharide

α-L-Fucp-(1→4)-[β-D-Galp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glc-ol

..

Oligonucleotide

3'-AATG-5'

CAS Number

n/a

2634-33-5

Registry Number

n/a

GSK2248761