Get an in-depth understanding of structure-property relationships with ACD/Labs' fully powered predictive models for physiochemical and ADME properties, and toxicity endpoints.

Screen and profile compounds for PhysChem and ADMET properties including pKa, lipophilicity, hERG inhibition, oral bioavailability, and more.

This structure optimization component offers the capability to select a site(s) for modification of a molecular scaffold, and uses the chemist's knowledge of project objectives to define the desired property profile.

Generate fast and accurate predictions for tens of thousands of compounds in one batch.