XtalPi and Pfizer to develop AI software to identify new drugs

10 May 2018 (Last Updated May 10th, 2018 11:16)

Pharmaceutical technology company XtalPi has formed a strategic research alliance with Pfizer to develop a physics and artificial intelligence (AI) powered molecular modelling platform for drug discovery.

Pharmaceutical technology company XtalPi has formed a strategic research alliance with Pfizer to develop a physics and artificial intelligence (AI) powered molecular modelling platform for drug discovery.

Intended to allow precise modelling of drug-like small molecules, the hybrid software technology will use a combination of quantum mechanics, machine learning algorithms and cloud computing.

The platform is set to improve both the accuracy and chemical-space coverage of molecular mechanics modelling and the prediction of pharmaceutical properties.

XtalPi co-founder and board chairman Shuhao Wen said: “The collaboration allows us to apply our expertise in molecular modelling, AI, and cloud computing towards improving existing computational methods while exploring new algorithms to address a wide range of drug design challenges.

“We are looking forward to potentially utilising new tools to increase our effectiveness in small molecule drug discovery and development.”

“We look forward to helping expedite research into novel therapeutics as our intelligent digital drug discovery and development platform continues to expand and succeed.”

XtalPi previously collaborated with Pfizer on crystal structure prediction and the latest partnership will boost their computation-based rational drug design and solid-form selection capabilities.

The companies intend to provide the academic community with access to certain molecular mechanics parameters generated using public-domain compounds.

Pfizer medicine design head Charlotte Allerton said: The XtalPi collaboration is an opportunity to enhance our computational modelling capabilities

“We are looking forward to potentially utilising new tools to increase our effectiveness in small molecule drug discovery and development.”