Update README.md

README.md

@@ -4,10 +4,37 @@ tags:
 - chemistry
 - chemical information
 pretty_name: Hematotoxicity Dataset
+dataset_summary: >-
+ The hematotoxicity dataset which contains a training set of 1330 molecules, a test set of 442 molecules, 
+ and a validation set of 610 new molecules.
+citation: >-
+  @article{,
+    author = {Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Ting-Jun Hou*, and Dong-Sheng Cao},
+    doi = {10.1021/acs.jcim.2c01088},
+    journal = {Journal of Chemical Information and Modeling},
+    number = {1},
+    title = {Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches},
+    volume = {63},
+    year = {2023},
+    url = {https://pubs.acs.org/doi/10.1021/acs.jcim.2c01088},
+    publisher = {ACS publications}
+  }
 size_categories:
 - 1K<n<10K
 config_names:
 - HematoxLong2022
+configs:
+- config_name: HematoxLong2022
+dataset_info:
+  - name: canonical SMILES
+    dtype: string
+  - name: Label
+    dtype:
+      class_label:
+        names:
+          0: 0
+          1: 1 
+
 ---
 
 # Hematotoxicity Dataset (HematoxLong2022)