QSAR_fish_toxicity (Q6037805)
From MaRDI portal
OpenML dataset with id 44970
Language | Label | Description | Also known as |
---|---|---|---|
English | QSAR_fish_toxicity |
OpenML dataset with id 44970 |
Statements
7
0 references
**Data Description**\N\NData set containing values for 6 attributes (molecular descriptors) of 908 chemicals used to predict quantitative acute aquatic toxicity towards the fish Pimephales promelas (fathead minnow).\N\NThis dataset was used to develop quantitative regression QSAR models to predict acute aquatic toxicity towards the fish Pimephales promelas (fathead minnow) on a set of 908 chemicals. LC50 data, which is the concentration that causes death in 50% of test fish over a test duration of 96 hours, was used as model response.\N\N**Attribute Description**\N\NThe model comprised 6 molecular descriptors\N\N1. *CIC0* - information indices\N2. *SM1_Dz* - 2D matrix-based descriptors\N3. *GATS1i* - 2D autocorrelations\N4. *NdsCH* - atom-type counts\N5. *NdssC* - atom-type counts\N6. *MLOGP* - molecular properties\N7. *LC50* - quantitative response, LC50 [-LOG(mol/L)], target feature
0 references
22 December 2022
0 references
LC50
0 references
https://www.tandfonline.com/doi/abs/10.1080/1062936X.2015.1018938
0 references
0
0 references
0
0 references
7
0 references
908
0 references
0
0 references
0
0 references
7
0 references
0
0 references