{"total":24,"rows":[{"id":"2412.19994","title":"From Generalist to Specialist: A Survey of Large Language Models for Chemistry","created":"2024-12-28","cited_by_count":11,"area":null},{"id":"2509.00640","title":"NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization","created":"2025-08-30","cited_by_count":11,"area":null},{"id":"2502.16284","title":"MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra","created":"2025-02-22","cited_by_count":8,"area":null},{"id":"2502.09897","title":"Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond","created":"2025-02-14","cited_by_count":6,"area":null},{"id":"2504.16275","title":"Quantum Doubly Stochastic Transformers","created":"2025-04-22","cited_by_count":6,"area":null},{"id":"2508.16112","title":"IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra","created":"2025-08-22","cited_by_count":5,"area":null},{"id":"2510.23746","title":"Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra","created":"2025-10-27","cited_by_count":4,"area":null},{"id":"2508.08441","title":"SpectraLLM: Uncovering the Ability of LLMs for Molecular Structure Elucidation from Multi-Spectral Data","created":"2025-08-04","cited_by_count":3,"area":null},{"id":"2606.19624","title":"MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery","created":"2026-06-17","cited_by_count":3,"area":null},{"id":"2508.01188","title":"SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy","created":"2025-08-02","cited_by_count":2,"area":null},{"id":"2508.05427","title":"Large Language Models Transform Organic Synthesis From Reaction Prediction to Automation","created":"2025-08-07","cited_by_count":1,"area":null},{"id":"2508.15392","title":"CITE: A Comprehensive Benchmark for Heterogeneous Text-Attributed Graphs on Catalytic Materials","created":"2025-08-21","cited_by_count":1,"area":null},{"id":"2509.21861","title":"SpecMol: A Spectroscopy-Grounded Foundation Model for Multi-Task Molecular Learning","created":"2025-09-26","cited_by_count":1,"area":null},{"id":"2512.19733","title":"NMIRacle: Multi-modal Generative Molecular Elucidation from IR and NMR Spectra","created":"2025-12-17","cited_by_count":1,"area":null},{"id":"2602.10158","title":"NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers","created":"2026-02-10","cited_by_count":1,"area":null},{"id":"2605.18791","title":"SpecX: A Large-Scale Benchmark for Multi-Modal Spectroscopy and Cross-Paradigm Evaluation","created":"2026-05-11","cited_by_count":1,"area":null},{"id":"2603.06113","title":"Latent Diffusion-Based 3D Molecular Recovery from Vibrational Spectra","created":"2026-03-06","cited_by_count":0,"area":null},{"id":"2605.12980","title":"CoRe-Gen: Robust Spectrum-to-Structure Generation under Imperfect Fingerprint Conditions","created":"2026-05-13","cited_by_count":0,"area":null},{"id":"2607.19816","title":"Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data","created":"2026-07-22","cited_by_count":0,"area":null},{"id":"2607.26164","title":"Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation","created":"2026-07-28","cited_by_count":0,"area":null},{"id":"2608.13341","title":"Simulation-to-real transfer learning for infrared spectroscopic chemical sensing and analysis from molecules to complex samples","created":"2026-08-13","cited_by_count":0,"area":null},{"id":"2608.14720","title":"Multi-Agent Closed-Loop Reasoning for Organic Structure Elucidation from Multimodal Spectra","created":"2026-08-12","cited_by_count":0,"area":null},{"id":"2608.16082","title":"Towards Reasonable Molecular Structure Elucidation from Infrared Spectroscopy with Chemical Feedback","created":"2026-08-17","cited_by_count":0,"area":null},{"id":"2609.14360","title":"Robust small-molecule identification from incomplete, degraded, and inconsistent spectra using multimodal mixed-condition training","created":"2026-09-13","cited_by_count":0,"area":null}],"next_cursor":null}