diff --git a/README.md b/README.md
index 808e2a7..b2482cf 100644
--- a/README.md
+++ b/README.md
@@ -39,3 +39,115 @@ conda install -c conda-forge rdkit
 # Install RDKit from Pypi
 pip install rdkit
 ```
+
+## Package highlights
+
+### Convert between compound representations
+
+There are functions to convert between SMILES, `RDKit.Mol`, MDL, InChI, etc. 
+All of them work in a similar way:
+```pycon
+>>> from rxn.chemutils.conversion import smiles_to_mol, mol_to_smiles
+>>> mol = smiles_to_mol("CO(C)")
+>>> mol_to_smiles(mol)
+'COC'
+```
+
+The functions raise exceptions when failing, and allow to be used without sanitization.
+```pycon
+>>> mol = smiles_to_mol("CFC")
+Traceback (most recent call last):
+[...]
+rxn.chemutils.exceptions.InvalidSmiles: "CFC" is not a valid SMILES string
+```
+```pycon
+>>> mol = smiles_to_mol("CFC", sanitize=False)
+>>> mol_to_smiles(mol)
+'CFC'
+```
+
+### Reaction SMILES
+
+The package supports different kinds of reaction SMILES, which, internally, are stored as [`ReactionEquation`s](./src/rxn/chemutils/reaction_equation.py).
+
+To convert to and from `ReactionEquation`, a few functions are provided:
+* [`parse_reaction_smiles`]() and [`to_reaction_smiles`](), if you know already the format.
+* [`parse_any_reaction_smiles`](), if you don't know the format or want to be flexible.
+
+Examples:
+```pycon
+>>> from rxn.chemutils.reaction_smiles import ReactionFormat, determine_format, parse_reaction_smiles, to_reaction_smiles, parse_any_reaction_smiles
+>>> rxn_smiles = "CC.O.[Na+]~[Cl-]>>CCO"
+>>> determine_format(rxn_smiles)
+<ReactionFormat.STANDARD_WITH_TILDE: 3>
+>>> parse_reaction_smiles(rxn_smiles, ReactionFormat.STANDARD_WITH_TILDE)
+ReactionEquation(reactants=['CC', 'O', '[Na+].[Cl-]'], agents=[], products=['CCO'])
+>>> parse_any_reaction_smiles(rxn_smiles)
+ReactionEquation(reactants=['CC', 'O', '[Na+].[Cl-]'], agents=[], products=['CCO'])
+>>> to_reaction_smiles(parse_any_reaction_smiles(rxn_smiles), ReactionFormat.EXTENDED)
+'CC.O.[Na+].[Cl-]>>CCO |f:2.3|'
+```
+
+### Multicomponent SMILES
+
+Sometimes, it is necessary to represent multiple compounds as one single SMILES string.
+For fragments / ions, it becomes necessary to distinguish between what parts belong together as one compound, and what are differentt compounds.
+In such "multitcomponent SMILES", we typically use tildes, `~`, to indicate that different SMILES fragments belong to the same compound.
+
+```pycon
+>>> from rxn.chemutils.multicomponent_smiles import multicomponent_smiles_to_list, list_to_multicomponent_smiles
+>>> list_to_multicomponent_smiles(["CC", "[Na+].[Cl-]"], fragment_bond="~")
+'CC.[Na+]~[Cl-]'
+>>> multicomponent_smiles_to_list('CC.[Na+]~[Cl-]', fragment_bond="~")
+['CC', '[Na+].[Cl-]']
+```
+
+### Canonicalization
+
+Canonicalization of compounds, with the possibility to remove the valence check:
+```pycon
+>>> from rxn.chemutils.conversion import canonicalize_smiles
+>>> canonicalize_smiles("CC(O)")
+'CCO'
+>>> canonicalize_smiles("ABCD")  # Invalid SMILES
+Traceback (most recent call last):
+[...]
+rxn.chemutils.exceptions.InvalidSmiles: "ABCD" is not a valid SMILES string
+>>> canonicalize_smiles("CF(C)")  # Invalid valence, fails by default
+Traceback (most recent call last):
+[...]
+rxn.chemutils.exceptions.InvalidSmiles: "CFC" is not a valid SMILES string
+>>> canonicalize_smiles("CF(C)", check_valence=False)  # Invalid valence, does not fail
+'CFC'
+```
+
+Canonicalization of any kind of SMILES (components, multicomponent SMILES, reaction SMILES, etc.), again with the possibility to disable the valence check.
+Note that the resulting string is in the same format.
+```pycon
+>>> from rxn.chemutils.miscellaneous import canonicalize_any
+>>> canonicalize_any("[Na+].[Cl-]")
+'[Cl-].[Na+]'
+>>> canonicalize_any("OC.C(O)~CF(C)", check_valence=False)
+'CO.CFC~CO'
+>>> canonicalize_any("CC(C)>C(O)>C(O)")
+'CCC>CO>CO'
+>>> canonicalize_any("CO.O.C>>C(O) |f:1.2|")
+'CO.C.O>>CO |f:1.2|'
+```
+
+The executable `rxn-canonicalize` (installed with the package), which works either on files or on stdin
+```shell
+rxn-canonicalize --help
+```
+
+### Augmentation
+
+See [`smiles_randomization.py`](./src/rxn/chemutils/smiles_randomization.py) and [`smiles_augmenter.py`](./src/rxn/chemutils/smiles_augmenter.py) for the augmentation of compound SMILES and reaction SMILES strings.
+
+### Others
+
+Without going into details, the package also does the following:
+* Tokenization and detokenization of SMILES strings in [`tokenization.py`](./src/rxn/chemutils/tokenization.py), and the executables `rxn-tokenize` and `rxn-detokenize`.
+* Easy combination of precursor SMILES and product SMILES into a reaction SMILES with the [`ReactionCombiner`](./src/rxn/chemutils/reaction_combiner.py), and the executable `rxn-combine-reaction`.
+* Parsing of RDFs into reaction SMILES: different [modules](./src/rxn/chemutils/rdf), and the executable `rxn-rdf-to-smiles`.
+* ... and many others.
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