From the 1 of 7 linked papers with an AI index.
7 papers
Fee Implied Volatility on Uniswap v3: A DEX Native Proxy and Its Limits
Amy Oumayma Khaldoun
Narrow Uniswap v3 liquidity ranges resemble short dated options, and Panoptic's streaming premium echoes the short maturity concentration of Black-Scholes theta near the strike. Th…
SpecCal: Ambiguity-Aware Candidate Calibration for Infrared Spectrum-Based Molecular Structure Reconstruction
Yixuan Chen, Bo Liu, Yusen Tan +3
The paper presents SpecCal, a training‑free, model‑agnostic framework that re‑ranks and augments candidate molecules to improve reconstruction of molecular structures from infrared…
Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent
Zheng Fang, Chen Yang, Yusen Tan +9
Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck…
FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction
Yunhua Zhong, Yixuan Tang, Yifan Li +5
Tandem mass spectrometry (MS/MS) is central to small molecule identification, but current deep learning systems for spectrum prediction still remain difficult to evaluate and deplo…
A large-scale foundation model enables simulation-to-real adaptation for nuclear magnetic resonance-based molecular structure analysis
Chen Yang, Zheng Fang, Hanyu Sun +7
Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure analysis, and spectral artificial intelligence offers great potential for its rapid and aut…
NMRGym: A Comprehensive Benchmark for Nuclear Magnetic Resonance Based Molecular Structure Elucidation
Zheng Fang, Chen Yang, Hai-tao Yu +5
Nuclear Magnetic Resonance (NMR) spectroscopy is the cornerstone of small-molecule structure elucidation. While deep learning has demonstrated significant potential in automating s…