A historically significant milestone has just been reached by Oxford, UK-based Exscientia, which used its artificial intelligence (AI)-based drug discovery platform Centaur Chemist™ to deliver the first drug candidate in the framework of their multiyear collaboration with GSK. This AI-derived small molecule is a highly potent in vivo active substance targeting a novel pathway for the treatment of chronic obstructive pulmonary disease (COPD). The milestone is among first early successes in drug discovery associated with the recent adoption of novel machine learning/AI methods and workflows.
In 1970-80s, the idea of virtual screening was regarded as a conceptual way to substitute costly and time-consuming experimental “screen-everything-you-have” approaches with a much faster and cheaper predictive modelling to cherry-pick only the best molecules for subsequent synthesis and validation in a lab. A great number of computational tools and approaches emerged, aiming at “pre-screening” new promising molecules, so called “hits”, or augmenting experimental screening programs to optimize efforts.
The first month of 2019 is not over yet, but there are already four major announcements about new research projects between large drug discovery corporations and smaller artificial intelligence (AI) companies -- this is more than the number of all similar announcements in the year 2014 combined -- only three.
In this Special Perspective, our fourth in an ongoing series, we will be presenting MatchMaker™, a novel deep proteome screening technology that we have developed and validated over the past 2 years to identify DTIs. MatchMaker builds on Cyclica’s passions of combining protein, chemistry, and genomic data, and augmenting it with high performance computing and algorithm development supported on the cloud.
Updated: 10.01.2019. Newly added content is marked in the text with "Update" sign.
The idea of using artificial intelligence (AI) to accelerate drug discovery process and boost a success rate of pharmaceutical research programs has inspired a surge of activity in this area over the last several years. In 2018, things are getting even “hotter” with the increase in the amount of partnerships, investments and other important events, summarized and grouped below into “mini-trends”.