DEVELOPMENT... OpenML
Data
QSAR_fish_toxicity

QSAR_fish_toxicity

active ARFF CC BY 4.0 Visibility: public Uploaded 22-12-2022 by Shirley
0 likes downloaded by 0 people , 0 total downloads 0 issues 0 downvotes
Issue #Downvotes for this reason By


Loading wiki
Help us complete this description Edit
Data Description Data 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). This 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. Attribute Description The model comprised 6 molecular descriptors 1. *CIC0* - information indices 2. *SM1_Dz* - 2D matrix-based descriptors 3. *GATS1i* - 2D autocorrelations 4. *NdsCH* - atom-type counts 5. *NdssC* - atom-type counts 6. *MLOGP* - molecular properties 7. *LC50* - quantitative response, LC50 [-LOG(mol/L)], target feature

7 features

LC50 (target)numeric827 unique values
0 missing
CIC0numeric502 unique values
0 missing
SM1_Dznumeric186 unique values
0 missing
GATS1inumeric557 unique values
0 missing
NdsCHnumeric5 unique values
0 missing
NdssCnumeric7 unique values
0 missing
MLOGPnumeric559 unique values
0 missing
Show all 7 features

19 properties

NumberOfInstances
908
Number of instances (rows) of the dataset.
NumberOfFeatures
7
Number of attributes (columns) of the dataset.
NumberOfClasses
0
Number of distinct values of the target attribute (if it is nominal).
NumberOfMissingValues
0
Number of missing values in the dataset.
NumberOfInstancesWithMissingValues
0
Number of instances with at least one value missing.
NumberOfNumericFeatures
7
Number of numeric attributes.
NumberOfSymbolicFeatures
0
Number of nominal attributes.
PercentageOfSymbolicFeatures
0
Percentage of nominal attributes.
AutoCorrelation
-0.43
Average class difference between consecutive instances.
PercentageOfNumericFeatures
100
Percentage of numeric attributes.
PercentageOfMissingValues
0
Percentage of missing values.
PercentageOfInstancesWithMissingValues
0
Percentage of instances having missing values.
PercentageOfBinaryFeatures
0
Percentage of binary attributes.
NumberOfBinaryFeatures
0
Number of binary attributes.
MinorityClassSize
Number of instances belonging to the least frequent class.
MinorityClassPercentage
Percentage of instances belonging to the least frequent class.
MajorityClassSize
Number of instances belonging to the most frequent class.
MajorityClassPercentage
Percentage of instances belonging to the most frequent class.
Dimensionality
0.01
Number of attributes divided by the number of instances.
Show all 19 properties

2 tasks

Supervised Regression on QSAR_fish_toxicity
0 runs - estimation_procedure: 10-fold Crossvalidation - target_feature: LC50
Supervised Regression on QSAR_fish_toxicity
0 runs - estimation_procedure: 10 times 10-fold Crossvalidation - target_feature: LC50
Define a new task