XtalPi, an AI-powered drug R&D company, has expanded its strategic collaboration with Pfizer to advance its AI-driven drug discovery and materials science simulations.
The partnership aims to develop a next-generation molecular modelling platform, enhancing the accuracy of physics-based methods with AI models for optimising small molecule medicine discovery and development.
In a joint research paper published last year, XtalPi and Pfizer introduced the first-generation XtalPi Force Field (XFF), an AMBER compatible drug-like molecular force field.
XFF showed superior performance in predicting small molecules’ geometry at the molecular quantum mechanics level.
It also facilitated accurate Free Energy Perturbation calculations for binding affinity predictions, crucial for drug screening and rational design.
The expanded collaboration will focus on creating predictive models tailored to Pfizer’s unique chemical space, empowering small molecule drug discovery across various research applications.
XtalPi will deploy its XFEP platform, offering parameter customisation and FEP calculations, to support Pfizer’s drug discovery efforts with improved accuracy and speed.
XtalPi CEO Jian Ma said: “Pfizer’s leadership in pharmaceutical innovation and their deep scientific expertise have been invaluable in shaping the evolution of our AI-driven platform.
“This collaboration demonstrates the transformative potential of XtalPi’s computational platform combining physics-based insights with advanced AI technology and propels us to develop even more powerful predictive tools.
“Together, we are building up a new platform for drug discovery, potentially unlocking possibilities that were once out of reach and accelerating the delivery of life-changing therapies for patients worldwide.”
Founded in 2015 by three physicists from the Massachusetts Institute of Technology (MIT), XtalPi integrates quantum physics, AI, and robotics to provide digital R&D solutions.
The company serves industries including pharmaceuticals, materials science, agricultural technology, energy, new chemicals, and cosmetics.
In 2023, XtalPi entered an AI-based drug discovery collaboration with Eli Lilly and Co. (Lilly) worth up to $250m, which includes upfront and milestone payments to XtalPi.
The partnership will leverage XtalPi’s integrated AI capabilities and robotics platform to design and deliver novel drug candidates for an undisclosed target.
