77 citations · 94 across the 6 of their papers we have counts for
3 papers · 1 filter
onepot CORE -- an enumerated chemical space to streamline drug discovery, enabled by automated small molecule synthesis and AI
Andrei S. Tyrin, Brandon Wang, Manuel Muñoz +2
The design-make-test-analyze cycle in early-stage drug discovery remains constrained primarily by the "make" step: small-molecule synthesis is slow, costly, and difficult to scale…
Machine learning meets mass spectrometry: a focused perspective
Daniil A. Boiko, Valentine P. Ananikov
Mass spectrometry is a widely used method to study molecules and processes in medicine, life sciences, chemistry, catalysis, and industrial product quality control, among many othe…
Emergent autonomous scientific research capabilities of large language models
Daniil A. Boiko, Robert MacKnight, Gabe Gomes
Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and comput…