Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, ...

Now Google’s DeepMind division says it’s made a leap in trying to understand the code with AlphaGenome, an AI model that predicts what effects small changes in DNA will have on an array of ...

The MIT model predicts molecular binding affinity at newfound speed and accuracy, offering a powerful tool for commercial drug discovery.

One scientist may have cracked the code to curing Alzheimer’s and Parkinson’s—using a single molecular switch.

Newly discovered 'molecular fingerprints' could transform diabetes treatment and diagnosis Researchers reveal unprecedented insights into insulin resistance that could pave the way for better ...

The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...

Genentech is sticking with Orionis Biosciences, handing over $105 million upfront as part of its second deal with the molecular glue biotech.

A quantum computer has used a single atom to model the complex dynamics of organic molecules interacting with light ...

Molecular property prediction (MPP) plays a critical role in drug design and discovery. Due to the multimodal nature of molecular data (e.g., 1D SMILES strings and 2D molecular graphs), multimodal ...

Increasing species richness toward the equator has been hypothesized to result from elevated temperatures, which increase molecular rates and consequently facilitate rapid speciation. We tested this ...

The cloud, named Eos, is chock-full of molecular hydrogen and possibly rife with star-forming potential in the future.

Molecular recognition has traditionally been focused on ground-state interactions. However, leveraging photoenergy to access excited-state molecular recognition, which may enable enhanced sensitivity ...