One Billion compounds. One day. One node. Instant screening for both small molecules and peptides. Anyo tools predict how molecules bind without conformational sampling.
Anyo outcompetes in generalisability, accuracy, and efficiency the golden standard virtual screening tools. Validated across over 10 diverse targets in wet-lab projects, our hit rate stands out in it's ability to quickly deliver validated results without the need for multiple iterations and model retraining.
In drug-target interaction benchmarks (CASF 2016 & CSAR). Highest hit rate on phase 1 on the open CACHE 6 challenge.
Our proprietary scoring algorithm is devoid of conformational sampling and allows for instant prediction of physiochemical interactions.
Compared to DOCK 3.7, a widely used 3D based docking method. Benchmarked against a 2022 published screening study on the Mpro target, iScore processed 160× more compounds per core. On the same hardware, one day replaces an estimated five months of docking, leading to a more sustainable process.
By Chemists For Chemists
Ultra fast screening platform
Tuned to explore the chemical space for novel potential drug molecules. All without the need for a scaffold.
Generates analogues to specified scaffolds based on binding affinity and over 14 additional ADME parameters.
Generative AI module
Rapid de novo discovery of novel molecules, prioritised by affinity and synthesizability.
iGen is utilised for rapid scaffold optimization
our ADMET prediction module
Continuously updated predictive models for efficacy, selectivity, safety and bioavailability.
Predicts ligand affinity to target proteins.
Predicts critical pharmacological properties of molecules.
Predicts toxicity based on molecular structures.
Cross checks for off target effects and pan-protein targeting.
Peptide discovery module
Taking into account predicted and reported data to optimize selection.
Tools to easily evaluate synthesis options and source vendors.
