Slot: smarts string (smarts_string)

Inheritance

information_property
- chemical_representation
  - chemical_formula
    - smarts_string

Properties

Range: ChemicalEncoding

Examples

Value
[#1,#6:60][C@@:6]12[CX4:7]CX4H2,CX4H0:8([CX4H3,CX4H2,#1:81])CX3:9[C@@:11]1(C:1[CX4,c:4][CX4,c:3][CX4,c,O,NX3!r3:5]2)[C:99]#[N:97]>>[C:10]#[C:9]:8([:81])[C:7][C@@:6]1([:60])[:5][:3][:4]C:1[C:11]1[C:99]#[N:97]

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/chemrof

LinkML Source

name: smarts_string
title: smarts string
examples:
- value: '[#1,#6:60][C@@:6]12[CX4:7][CX4H2,CX4H0:8]([CX4H3,CX4H2,#1:80])([CX4H3,CX4H2,#1:81])[CX3:9](=[CX3H2:10])[C@@:11]1([C:1](=[O:2])[CX4,c:4][CX4,c:3][CX4,c,O,NX3!r3:5]2)[C:99]#[N:97]>>[C:10]#[C:9][*:8]([*:80])([*:81])[C:7][C@@:6]1([*:60])[*:5][*:3][*:4][C:1](=[O:2])[C:11]1[C:99]#[N:97]'
from_schema: https://w3id.org/chemrof
rank: 1000
is_a: chemical_formula
domain: ChemicalEntity
alias: smarts_string
range: ChemicalEncoding