Check out our pre-print on an interpretable ML pipeline using a Wasserstein Autoencoder & Generative Topographic Mapping for designing anti-biofilm peptides. Experimentally validated peptides show up to 10x improved IC50 against MRSA biofilms vs. reference standards. More soon! #peptides #AMPs
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
greglandrum.github.io/rdkit-blog/p...
#ChemSky
Here's a Cheminformatics Starter
pack! Let me know if you would like to be added! And more importantly, do encourage people to join the blue skies :D
The first paper from the Small Molecule Steering Committee at Polaris introduced practical guidelines for method comparison in ML-driven drug discovery.
We'll be discussing this live on Dec 5th from 11 - 12 PM ET.
Join the convo: portal.valencelabs.com/events/post/...
Hi, nice work! Could you add me too, please? Thanks!
