Ísak Valsson on Muck Rack

Ísak Valsson

As seen in: Nature
Is this you? As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work. Claim your profile

Get in touch with Ísak

Contact Ísak, search articles and posts on X, monitor coverage, and track replies from one place.

Learn more about Muck Rack

Actions

Share this page

Is this you?

As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.
Claim your profile

Articles

Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data - Communications Chemistry

|
By Matthew Warren, Charlotte M. Deane, Aniket Magarkar, Garrett Morris, Ísak Valsson
| Nature Verified
Abstract Machine learning offers great promise for fast and accurate binding affinity predictions. However, current models lack robust evaluation and fail on tasks encountered in (hit-to-) lead optimisation, such as ranking the binding affinity of a congeneric series of ligands, thereby limiting their application in drug discovery.
Open in Who Shared Issue with article?
See all 1 articles
 •  Privacy  •  Terms  •  Security and Legal  •   •   •   • 

© 2026 Muck Rack

SOC 2® Certified