Update README.md

README.md

@@ -11,4 +11,34 @@ tags:
 pretty_name: MoleculeNet MUV
 size_categories:
 - 10K<n<100K
----
+---
+
+# MoleculeNet MUV
+
+Load and return the MUV (Maximum Unbiased Validation) 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 17 targets designed for validation of virtual screening techniques, based on PubChem BioAssays. All tasks are binary.
+
+Note that targets have missing values. Algorithms should be evaluated only on present labels. For training data, you may want to impute them, e.g. with zeros.
+
+| **Characteristic** |      **Description**     |
+|:------------------:|:------------------------:|
+|        Tasks       |            17            |
+|      Task type     | multitask classification |
+|    Total samples   |           93087          |
+|  Recommended split |         scaffold         |
+| Recommended metric |       AUPRC, AUROC       |
+
+## References
+<a id="1">[1]</a> 
+Ramsundar, Bharath, et al.
+"Massively multitask networks for drug discovery"
+arXiv:1502.02072 (2015)
+https://arxiv.org/abs/1502.02072
+
+<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