{"total":22,"rows":[{"id":"2203.11444","title":"Root-aligned SMILES: A Tight Representation for Chemical Reaction Prediction","created":"2022-03-22","cited_by_count":51,"area":null},{"id":"2308.16212","title":"RetroBridge: Modeling Retrosynthesis with Markov Bridges","created":"2023-08-30","cited_by_count":36,"area":null},{"id":"2210.15889","title":"Towards Data-and Knowledge-Driven Artificial Intelligence: A Survey on Neuro-Symbolic Computing","created":"2022-10-28","cited_by_count":35,"area":null},{"id":"2206.14897","title":"Discrete Langevin Sampler via Wasserstein Gradient Flow","created":"2022-06-29","cited_by_count":24,"area":null},{"id":"2209.05582","title":"Graph Neural Networks for Molecules","created":"2022-09-12","cited_by_count":21,"area":null},{"id":"2306.04123","title":"Retrosynthesis Prediction with Local Template Retrieval","created":"2023-06-07","cited_by_count":16,"area":null},{"id":"2209.15315","title":"FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning","created":"2022-09-30","cited_by_count":14,"area":null},{"id":"2112.11225","title":"RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction","created":"2021-12-20","cited_by_count":13,"area":null},{"id":"2202.08205","title":"SemiRetro: Semi-template framework boosts deep retrosynthesis prediction","created":"2022-02-12","cited_by_count":13,"area":null},{"id":"2209.13178","title":"MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction","created":"2022-09-27","cited_by_count":8,"area":null},{"id":"2402.00086","title":"Retrosynthesis prediction enhanced by in-silico reaction data augmentation","created":"2024-01-31","cited_by_count":5,"area":null},{"id":"2406.13661","title":"Hitchhiker's guide on the relation of Energy-Based Models with other generative models, sampling and statistical physics: a comprehensive review","created":"2024-06-19","cited_by_count":5,"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":"2206.04882","title":"$\\mathsf{G^2Retro}$ as a Two-Step Graph Generative Models for Retrosynthesis Prediction","created":"2022-06-10","cited_by_count":4,"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":"2208.05482","title":"Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent Variables","created":"2022-08-10","cited_by_count":3,"area":null},{"id":"2305.15153","title":"MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Motif Editing","created":"2023-05-20","cited_by_count":2,"area":null},{"id":"2310.05186","title":"Evolutionary Retrosynthetic Route Planning","created":"2023-10-08","cited_by_count":2,"area":null},{"id":"2312.10900","title":"RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction","created":"2023-12-18","cited_by_count":2,"area":null},{"id":"2402.06772","title":"Retrosynthesis Prediction via Search in (Hyper) Graph","created":"2024-02-09","cited_by_count":2,"area":null},{"id":"2407.15238","title":"Variational Potential Flow: A Novel Probabilistic Framework for Energy-Based Generative Modelling","created":"2024-07-21","cited_by_count":0,"area":null},{"id":"2502.19119","title":"Chemical knowledge-informed framework for privacy-aware retrosynthesis learning","created":"2025-02-26","cited_by_count":0,"area":null}],"next_cursor":null}