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Category name:
OECD Toolbox 4.3 SW_Category for Methylic Adduct Algae toxicity estimation

Justifications and discussions

Category definition:
The Category is built accoriding to the OECD Toolbox v.4.3. standard workflow with the aim to predict the toxicity to Algae of Methylic Adduct.
All the members of the category:
1) are surface narcotics (basing on Acute aquatic toxicity MOA by OASIS profiler);
2) discrete chemical; mono constituent; Organic (basing on Substance type profiler)
3) have no alert in regard of protein binding (basing on Protein binding by OASIS profiler)
4) have one or more of the following chemical elements in their molecule:
Carbon C;
Oxygen O;
Halogens Cl;
Halogens F;
Halogens F,Cl,Br,I,At.

Before prediction, outlier analogues have been automatically pruned basing on water solubility.
Category rationale:
1. CATEGORY HYPOTHESIS
The algae acute toxicity of the members of the category follows a trend based on Log Kow values.
The algae acute toxicity of Methilic Adduct can therefore be predicted basing on the following equation:
EC50, IC50, LC50 = 2,14 (±1,05) + 0,811 (±0,358) * log Kow, log(1/mol/L)

2. CATEGORY JUSTIFICATION
See attached documents:
*Category report
*Data matrix

3. APPLICABILITY DOMAIN OF THE CATEGORY
Active descriptor(s) range:
- log Kow: from 1.13 to 4.59

- Response range:
- EC50 IC50 LC50: from 2.55 to 6.15 log(1/mol/L) (from 0.21 to 242 mg/L)

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