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@@ -1,6 +1,6 @@
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  ---
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  version: 1.0.0
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- license: cc0-1.0
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  task_categories:
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  - tabular-regression
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  language:
@@ -11,16 +11,24 @@ size_categories:
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  tags:
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  - drug discovery
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  - bioassay
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- dataset_summary: A comprehensive disease and target-based dataset with 1.4 million
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- molecules, collected from PubChem to accelerate molecular machine learning for better
 
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  drug discovery.
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- citation: "@article{KeshavarziArshadi2022,\n title = {MolData, a molecular benchmark\
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- \ for disease and target based machine learning},\n volume = {14},\n ISSN = {1758-2946},\n\
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- \ url = {http://dx.doi.org/10.1186/s13321-022-00590-y},\n DOI = {10.1186/s13321-022-00590-y},\n\
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- \ number = {1},\n journal = {Journal of Cheminformatics},\n publisher = {Springer\
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- \ Science and Business Media LLC},\n author = {Keshavarzi Arshadi, Arash and Salem,\
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- \ Milad and Firouzbakht, Arash and Yuan, Jiann Shiun},\n year = {2022},\n month\
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- \ = mar \n}"
 
 
 
 
 
 
 
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  dataset_info:
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  config_name: MolData
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  features:
@@ -72,5 +80,4 @@ We utilized the raw data uploaded on [Github](https://github.com/LumosBio/MolDat
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  3. Split the dataset (train, test, validation)
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  If you would like to try these processes with the original dataset,
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- please follow the instructions in the [Preprocessing Script.py](address) file located in our MolData repository.
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-
 
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  ---
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  version: 1.0.0
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+ license: cc-by-sa-4.0
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  task_categories:
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  - tabular-regression
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  language:
 
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  tags:
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  - drug discovery
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  - bioassay
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+ dataset_summary: >-
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+ A comprehensive disease and target-based dataset with 1.4 million molecules,
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+ collected from PubChem to accelerate molecular machine learning for better
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  drug discovery.
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+ citation: |-
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+ @article{KeshavarziArshadi2022,
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+ title = {MolData, a molecular benchmark for disease and target based machine learning},
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+ volume = {14},
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+ ISSN = {1758-2946},
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+ url = {http://dx.doi.org/10.1186/s13321-022-00590-y},
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+ DOI = {10.1186/s13321-022-00590-y},
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+ number = {1},
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+ journal = {Journal of Cheminformatics},
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+ publisher = {Springer Science and Business Media LLC},
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+ author = {Keshavarzi Arshadi, Arash and Salem, Milad and Firouzbakht, Arash and Yuan, Jiann Shiun},
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+ year = {2022},
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+ month = mar
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+ }
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  dataset_info:
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  config_name: MolData
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  features:
 
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  3. Split the dataset (train, test, validation)
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  If you would like to try these processes with the original dataset,
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+ please follow the instructions in the [Preprocessing Script.py](address) file located in our MolData repository.