Slightly update ligand based design slides

uci-pharmsci/lectures/ligand_based_design/ligand_based_design.ipynb

@@ -409,6 +409,22 @@
    },
    "outputs": [],
    "source": []
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Additional exercise: Use this to search a database\n",
+    "\n",
+    "Last lecture, our sandbox included an option to search a small ZINC subset based on a query ligand (using Lingo search). Here, do the same (reusing the file stored in that directory if you like) but using shape search."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {
@@ -419,9 +435,9 @@
    "provenance": []
   },
   "kernelspec": {
-   "display_name": "Python [conda env:drugcomp] *",
+   "display_name": "drugcomp",
    "language": "python",
-   "name": "conda-env-drugcomp-py"
+   "name": "drugcomp"
   },
   "language_info": {
    "codemirror_mode": {