Imagine you generated a hit that binds and inhibits your target with high potency, but in preclinical or clinical settings, it shows poor bioavailability or unexpected toxicity. This is exactly where the Boltzmann AI Discovery Suite steps in! In this clip, our SME Catherene Tomy shows how Boltzmann’s Molecule Optimization engine can take any structure and refine it for safer and stronger ADMET profiles, adjusting everything from carcinogenicity to metabolism to BBB permeability. From the same parent structure, the engine searches nearby chemical space. It optimizes only specific regions, rather than replacing the entire molecule, to identify non-carcinogenic and more drug-like variants. You are not restricted to a single model. You can select any ADMET property you want to tune, including blood-brain barrier permeability, lipophilicity, half-life, clearance, and metabolism! A fast look at how AI can turn a promising hit into a viable lead. Discover the full Boltzmann AI Discovery Suite to see how far your research can go. 🔗boltzmann.co/oursuite #DrugDiscovery #AIinBiotech #SmallMoleculeDesign #LeadOptimization #ADMET #ComputationalChemistry #AIDrugDiscovery #ChemistryInnovation #BoltzmannLabs

Cresset CSO: Advances in Structure-based Design Methods at Cresset #EUUGM2016 #Proteins #3DRISM #SmallMoleculeDesign

Meet us at Bio Japan #Yokohama #Japan this week bit.ly/1EX8FHS #SmallMoleculeDesign #ChemistrySoftware