Tox21
Datasets
All datasets matching “Tox21”MoleculeNet_Tox21
MoleculeNet Tox21
Tox21 dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through
scikit-fingerprints library.
The task is to predict 12 toxicity targets, including nuclear receptors and stress response pathways. All tasks are binary.
Note that targets have missing values. Algorithms should be evaluated only on present labels. For training data, you may want to impute them, e.g. with zeros.
Characteristic
Description
Tasks
12
Task type
multitask… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_Tox21.nr_aromatase_tox21
Dataset Details
Dataset Description
Tox21 is a data challenge which contains qualitative toxicity measurements
for 7,831 compounds on 12 different targets, such as nuclear receptors and stress
response pathways.
Curated by:
License: CC BY 4.0
Dataset Sources
corresponding publication
data source
assay name
Citation
BibTeX:
@article{Huang2017,
doi = {10.3389/fenvs.2017.00003},
url = {https://doi.org/10.3389/fenvs.2017.00003},
year = {2017}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/nr_aromatase_tox21.nr_ahr_tox21
Dataset Details
Dataset Description
Tox21 is a data challenge which contains qualitative toxicity measurements
for 7,831 compounds on 12 different targets, such as nuclear receptors and stress
response pathways.
Curated by:
License: CC BY 4.0
Dataset Sources
corresponding publication
data source
assay name
Citation
BibTeX:
@article{Huang2017,
doi = {10.3389/fenvs.2017.00003},
url = {https://doi.org/10.3389/fenvs.2017.00003},
year = {2017}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/nr_ahr_tox21.sr_atad5_tox21
Dataset Details
Dataset Description
Tox21 is a data challenge which contains qualitative toxicity measurements
for 7,831 compounds on 12 different targets, such as nuclear receptors and stress
response pathways.
Curated by:
License: CC BY 4.0
Dataset Sources
corresponding publication
data source
assay name
Citation
BibTeX:
@article{Huang2017,
doi = {10.3389/fenvs.2017.00003},
url = {https://doi.org/10.3389/fenvs.2017.00003},
year = {2017}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/sr_atad5_tox21.sr_p53_tox21
Dataset Details
Dataset Description
Tox21 is a data challenge which contains qualitative toxicity measurements
for 7,831 compounds on 12 different targets, such as nuclear receptors and stress
response pathways.
Curated by:
License: CC BY 4.0
Dataset Sources
corresponding publication
data source
assay name
Citation
BibTeX:
@article{Huang2017,
doi = {10.3389/fenvs.2017.00003},
url = {https://doi.org/10.3389/fenvs.2017.00003},
year = {2017}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/sr_p53_tox21.nr_er_tox21
Dataset Details
Dataset Description
Tox21 is a data challenge which contains qualitative toxicity measurements
for 7,831 compounds on 12 different targets, such as nuclear receptors and stress
response pathways.
Curated by:
License: CC BY 4.0
Dataset Sources
corresponding publication
data source
assay name
Citation
BibTeX:
@article{Huang2017,
doi = {10.3389/fenvs.2017.00003},
url = {https://doi.org/10.3389/fenvs.2017.00003},
year = {2017}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/nr_er_tox21.