Disconnection-Aware Retrosynthesis
In a new paper, researchers at IBM Research recently presented a novel approach to retrosynthesis....
ZONTAL Blog
Information on digital transformation for life sciences organizations
Keep up with the latest from ZONTAL by checking out our blog posts. Here we discuss ideas, events, and exciting product developments.
DiffDock – A Diffusion Model for Molecular Docking
Molecular docking is a critical task in drug design, as it involves predicting the binding...
RFDiffusion - Leveraging the Power of DDPMs to Generate Protein Sequences and Structures
RFDiffusion is a new method for protein design that leverages the power of denoising diffusion...
MILCDock - Machine Learning Consensus Docking
Molecular docking tools are commonly used in drug discovery to computationally identify new...
Reality or Illusion – What can AI do for Drug Discovery?
I thoroughly enjoyed meeting Andreas Bender at the recent BioTechX conference in Basel. He gave a...
DALL·E 2, Imagen, and applications to chemistry
In the past two months, DALL·E 2 has taken over the internet. From Bart Simpson edited into...
Making chemistry knowledge machine-actionable
The history of chemistry has been epitomized by individual chemists coming up with hypotheses,...