To ensure that ML models have better coverage of environmentally relevant compounds to improve their predictions, part of this work involved establishing a pipeline to integrate experimental CCS values into PubChem. Currently PubChem contains CCS values from the Baker Lab 24 , , CCSbase and four collections via the NORMAN-SLE 12 : S50 CCSCOMPEND , S61 UJICCSLIB , S79 UACCSCEC and S116 REFCCS . These values are displayed on individual records in PubChem and navigable in the PubChem Classification Browser via the CCSbase, Baker Lab, NORMAN-SLE and the Aggregated CCS trees (see Figure ).