Toxicophore structure
|
Alert ID
|
Description
|
Odds ratio
|
p value
|
Source
|
---|
|
TA1000
|
Double P=S and P=C bonds
|
35.2
|
4.7 × 10−19
|
Enamine
|
|
TA975
|
Thiocarbonyls
|
27.6
|
9.6 × 10−6
|
Enamine
|
|
TA880
|
Gem-Dihalo propane and cyclopropane
|
25.1
|
3.1 × 10−5
|
Life chemicals
|
|
TA567
|
Thioureas
|
25.1
|
3.1 × 10−5
|
ChemDiv
|
TA885
|
Life chemicals
|
TA1075
|
Ontario institute for cancer research
|
|
TA914
|
Nitrosos
|
16.4
|
5.0 × 10−6
|
Life chemicals
|
TA998
|
Enamine
|
TA1089
|
Maybridge
|
- Only enrichments with a p value below the Bonferroni-corrected cut-off equivalent to α = 0.05 were considered. The remaining significant enrichments were ranked according to their odds-ratio, or effect size. These alerts generally represent reactive functionalities that might be anticipated to afford nonspecific toxicity