Update README.md

README.md

@@ -1,3 +1,42 @@
 ---
-license: cc0-1.0
----
+language: en
+license: mit
+source_datasets: curated
+task_categories:
+- tabular-classification
+- tabular-regression
+tags:
+- chemistry
+- cheminformatics
+pretty_name: Aqueous Solubility Database (AqSolDB)
+dataset_summary: >-
+  Solubility values of 9,982 unique compounds curated from 9 different publicly
+  available aqueous solubility datasets.
+citation: |-
+  @article{
+    Meng_A_curated_diverse_2021,
+    author = {Meng, Fanwang and Xi, Yang and Huang, Jinfeng and Ayers, Paul W.},
+    doi = {10.1038/s41597-021-01069-5},
+    journal = {Scientific Data},
+    number = {289},
+    title = {A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors},
+    volume = {8},
+    year = {2021},
+    url = {https://www.nature.com/articles/s41597-021-01069-5},
+    publisher = {Springer Nature}
+  }
+size_categories:
+- 1K<n<10K
+config_names:
+- B3DB_classification
+- B3DB_classification_extended
+- B3DB_regression
+- B3DB_regression_extended
+configs:
+- config_name: AqSolDB_classification
+  data_files:
+  - split: test
+    path: B3DB_classification/test.csv
+  - split: train
+    path: B3DB_classification/train.csv
+---