{"total":14,"rows":[{"id":"2110.09681","title":"Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction","created":"2021-10-19","cited_by_count":68,"area":null},{"id":"2206.13602","title":"Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching","created":"2022-06-27","cited_by_count":68,"area":null},{"id":"2305.18090","title":"ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback","created":"2023-05-29","cited_by_count":31,"area":null},{"id":"2303.00313","title":"Deep Learning Methods for Small Molecule Drug Discovery: A Survey","created":"2023-03-01","cited_by_count":10,"area":null},{"id":"2306.06119","title":"Doubly Stochastic Graph-based Non-autoregressive Reaction Prediction","created":"2023-06-05","cited_by_count":6,"area":null},{"id":"2501.06669","title":"Challenging reaction prediction models to generalize to novel chemistry","created":"2025-01-11","cited_by_count":6,"area":null},{"id":"2411.08306","title":"Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction","created":"2024-11-13","cited_by_count":5,"area":null},{"id":"2306.15890","title":"A Unified View of Deep Learning for Reaction and Retrosynthesis Prediction: Current Status and Future Challenges","created":"2023-06-28","cited_by_count":4,"area":null},{"id":"2310.04674","title":"ReactionTeam: Teaming Experts for Divergent Thinking Beyond Typical Reaction Patterns","created":"2023-10-07","cited_by_count":2,"area":null},{"id":"2210.02095","title":"ChemAlgebra: Algebraic Reasoning on Chemical Reactions","created":"2022-10-05","cited_by_count":1,"area":null},{"id":"2608.27429","title":"Mechanistic Reaction Prediction via Discrete Flow Matching on Graph-Structured Electron Occupation","created":"2026-08-27","cited_by_count":1,"area":null},{"id":"2504.02191","title":"A User-Tunable Machine Learning Framework for Step-Wise Synthesis Planning","created":"2025-04-03","cited_by_count":0,"area":null},{"id":"2507.08475","title":"SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction","created":"2025-07-11","cited_by_count":0,"area":null},{"id":"2609.33608","title":"Learning Transferable Reaction Mechanisms from Visual Chemical Knowledge","created":"2026-09-27","cited_by_count":0,"area":null}],"next_cursor":null}