The Pioneering Platform for AI-based PIC Design



CelerisTx® One™

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.