Update README.md

README.md

@@ -1,44 +1,72 @@
----
-license: mit
-configs:
-- config_name: default
-  data_files:
-  - split: train
-    path: data/train-*
-dataset_info:
-  features:
-  - name: AID
-    dtype: int64
-  - name: SID
-    dtype: int64
-  - name: SID Group
-    dtype: int64
-  - name: CID
-    dtype: int64
-  - name: Activity Outcome
-    dtype: string
-  - name: Activity Name
-    dtype: float64
-  - name: Activity Qualifier
-    dtype: float64
-  - name: Activity Value
-    dtype: float64
-  - name: Protein Accession
-    dtype: float64
-  - name: Gene ID
-    dtype: float64
-  - name: Target TaxID
-    dtype: float64
-  - name: PMID
-    dtype: float64
-  - name: smiles
-    dtype: string
-  - name: InChI
-    dtype: string
-  splits:
-  - name: train
-    num_bytes: 1989642
-    num_examples: 7152
-  download_size: 838192
-  dataset_size: 1989642
----
+---
+license: mit
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+dataset_info:
+  features:
+  - name: AID
+    dtype: int64
+  - name: SID
+    dtype: int64
+  - name: SID Group
+    dtype: int64
+  - name: CID
+    dtype: int64
+  - name: Activity Outcome
+    dtype: string
+  - name: Activity Name
+    dtype: float64
+  - name: Activity Qualifier
+    dtype: float64
+  - name: Activity Value
+    dtype: float64
+  - name: Protein Accession
+    dtype: float64
+  - name: Gene ID
+    dtype: float64
+  - name: Target TaxID
+    dtype: float64
+  - name: PMID
+    dtype: float64
+  - name: smiles
+    dtype: string
+  - name: InChI
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 1989642
+    num_examples: 7152
+  download_size: 838192
+  dataset_size: 1989642
+language:
+- en
+tags:
+- chemistry
+- biology
+pretty_name: Simeonov2008
+size_categories:
+- 1K<n<10K
+description: >
+  This dataset contains fluorescence profiling data for 7,152 active compounds filtered from the PubChem BioAssay database (AIDs: 587-594). The data includes CIDs, SMILES strings, and fluorescence activity outcomes, enabling researchers to explore fluorescence properties of compounds in high-throughput screening (HTS) assays.
+title: Fluorescence Spectroscopic Profiling of Compound Libraries Dataset
+authors: 
+  - Simeonov et al.
+date: 2008-03-26
+doi: 10.1021/jm701301m
+---
+
+## Dataset Usage
+
+### Download the dataset
+Use python to load the Huggingface dataset.
+command line: 
+  $pip install datasets
+python:
+  >>>data = datasets.load_dataset('vmsavla/b595_Simeonov2008')
+
+
+### Use the dataset
+Train the dataset on a model.