Update README.md

README.md

@@ -11,4 +11,32 @@ tags:
 pretty_name: MoleculeNet FreeSolv
 size_categories:
 - n<1K
----
+---
+
+# MoleculeNet FreeSolv
+
+FreeSolv (Free Solvation Database) dataset [[1]](#1), part of MoleculeNet [[2]](#2) benchmark. It is intended to be used through 
+[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.
+
+The task is to predict hydration free energy of small molecules in water. Targets are in kcal/mol.
+
+| **Characteristic** | **Description** |
+|:------------------:|:---------------:|
+|        Tasks       |        1        |
+|      Task type     |    regression   |
+|    Total samples   |       642       |
+|  Recommended split |     scaffold    |
+| Recommended metric |       RMSE      |
+
+## References
+<a id="1">[1]</a> 
+Mobley, D.L., Guthrie, J.P.
+"FreeSolv: a database of experimental and calculated hydration free energies, with input files"
+J Comput Aided Mol Des 28, 711–720 (2014)
+https://link.springer.com/article/10.1007/s10822-014-9747-x
+
+<a id="2">[2]</a> 
+Wu, Zhenqin, et al.
+"MoleculeNet: a benchmark for molecular machine learning."
+Chemical Science 9.2 (2018): 513-530
+https://pubs.rsc.org/en/content/articlelanding/2018/sc/c7sc02664a