diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..9b2f32a
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,22 @@
+cff-version: 1.2.0
+message: "If you use this repository, please cite the following article."
+title: "Chemical Space Network Tutorial"
+type: software
+preferred-citation:
+  type: article
+  title: "Visualizing chemical space networks with RDKit and NetworkX"
+  authors:
+    - family-names: Scalfani
+      given-names: Vincent F.
+    - family-names: Patel
+      given-names: Vishank D.
+    - family-names: Fernandez
+      given-names: Avery M.
+  journal: "Journal of Cheminformatics"
+  url: "https://doi.org/10.1186/s13321-022-00664-x"
+  doi: "10.1186/s13321-022-00664-x"
+  year: 2022
+  volume: 14
+  issue: 1
+  start: 87
+  publisher: Springer
diff --git a/README.md b/README.md
index 52e5b6a..f426c2b 100644
--- a/README.md
+++ b/README.md
@@ -10,6 +10,8 @@ Scalfani, V.F., Patel, V.D. & Fernandez, A.M. Visualizing chemical space network
   title={Visualizing chemical space networks with RDKit and NetworkX},
   author={Scalfani, Vincent F and Patel, Vishank D and Fernandez, Avery M},
   journal={Journal of Cheminformatics},
+  url={https://doi.org/10.1186/s13321-022-00664-x},
+  doi={10.1186/s13321-022-00664-x},
   volume={14},
   number={1},
   pages={87},
@@ -31,4 +33,3 @@ Approximate run times for the `CSN_calculations_lessMem.py` script:
 | 12th generation Intel Core i9, 64 GB RAM    | 22                   |    25 min        |
 | Raspberry Pi 5, 8 GB RAM                    | 3                    |    3 hours       |
 | Raspberry Pi 400, 4 GB RAM                  | 3                    |    5 hours       |
-