DrugREV
molecular engineDrugRev is a molecular engine we developed to explore the chemical binding activity, pharmacokinetics and side effects of drug-like molecules. It draws on a range of mined public and licensed sources — PDB, DrugBank, ChEMBL and FAERS among them — alongside whatever in-house data a client brings, with 3D visualization and docking on one side and statistical and deep learning models on the other.
Together these have helped our clients predict whether a molecule will engage its intended target in a clean and efficacious fashion. DrugRev also offers generative capabilities: designing small molecules and de novo binders — macrocycles, peptides and mini-proteins — with a specified activity profile against a particular set of targets, including the option to ensure the result does not engage designated off-targets.
- on-target
- off-target flag
- predicted contact
- de novo binder