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papersTODAY 04:00 UTC

Autoregressive Fragment Model Generates Molecules at Specified Attachment Sites

A new arXiv preprint introduces Fraglingo, a generative approach that builds molecules by mimicking common medicinal-chemistry edits such as extending a scaffold or swapping a substituent. The method generates fragments conditioned on a chosen attachment point, letting users direct where a new piece is added while optimizing desired molecular properties. It falls under fragment-based molecular design research.

arXiv Fraglingo AI drug discovery fragment-based molecular design medicinal chemistry molecular generation

COVERAGE · 1 REPORT · LINKS GO TO THE ORIGINAL OUTLETS

arXiv cs.AIFraglingo: Molecular Design via Attachment-Aware Autoregressive Fragment Generation ↗TODAY 04:00 UTC