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. 2014 Jun 20;19(6):8456–8471. doi: 10.3390/molecules19068456

Table 1.

In silico toxicity of 3-aminothiophene-2-carbohydrazide derivatives 5ai calculated using Osiris program [24,25].

Compound Theoretical Toxicity Risks *
Mutagenic Tumorigenic Irritant Reproductive Effects
Dipyrone 3 3 1 3
Dexamethasone 1 1 1 1
Indomethacin 1 1 1 1
5a 1 1 1 1
5b 1 1 3 1
5c 1 1 1 1
5d 1 1 1 1
5e 1 1 2 2
5f 1 3 1 1
5g 1 1 1 1
5h 3 1 1 1
5i 1 1 1 1

* Theoretical toxicity risks calculated using Osiris program. The scale of side effects is low (1), medium (2), and high (3) toxicity profile.