Chemistry42 – AI-based drug discovery platform

Researchers from Insilico Medicine have published a paper in the Journal of Chemical Information and Modeling on the use of its AI platform, Chemistry42, for designing novel drugs for diseases. Launched in 2020, the platform includes 42 generative algorithms, customizable reward functions, and 3D physics-based modules to dynamically assess and optimize the structures. The company… Continue reading Chemistry42 – AI-based drug discovery platform

Web application to help discover new antibiotics to fight gram negative bacteria

A new web app eNTRyway speeds the discovery of drugs to kill Gram-negative bacteria by quickly evaluating potential drugs ability to accumulate in these bacterial cell. Entryway calculates physiochemical properties of molecules and compares to a training set of compounds. The tool also offers insights into discrete chemical changes that can convert drugs that kill… Continue reading Web application to help discover new antibiotics to fight gram negative bacteria