The Pioneering Platform for AI-based PIC™ Design
From serendipity to rational design.
From Data to Hit
Xanthos is the platform’s design engine. Starting with a protein target sequence, we determine 3D structures, predict ligand binding, generate linkers, predict ternary complexes and refine PIC™ selection through several layers of filters including molecular dynamics and QSAR.
Technologies in use: Graph neural networks to predict interactions, generative models to create new chemical matter such as linker and , multi-objective optimization to improve molecular properties, molecular dynamics and free-energy calculations.
From Hit to Compound
Hephaistos is the platform’s synthesis engine. Machine learning-driven retrosynthesis and a robotized synthesis lab create real-world, custom chemical matter for testing in our automated biology lab (Hades). Our facility includes all necessary organic synthesis equipment, such as fume hoods, evaporators, HPLC, LC-MS and microfluidic synthesis devices.
From Compound to Lead
Hades is the platform’s biological information engine. It generates experimental data obtained from our automated lab which we began constructing mid-2021. We exploit several biochemical assays and phenotypic screening protocolsto quickly generate novel data in-house. Our lab has capabilities in cell culture, high-content imaging, functional assays, and molecular biology.