SynRXN: An Open Benchmark and Curated Dataset for Computational Reaction Modeling
SynRXN:计算反应建模的开放基准和精心编纂的数据集
机构 * Bioinformatics Group, Department of Computer Science \& Interdisciplinary Center for Bioinformatics \& School for Embedded ; Composite Artificial Intelligence (SECAI), Leipzig University, H \"a rtelstra e 16–18, D-04107 Leipzig, Germany ; School of Pharmacy, University of Medicine
专题命中 数据集与评测 :action model(title);分类 cs.LG
AI总结 SynRXN 提供了一个统一的基准框架和开放数据资源,用于计算机辅助合成规划。通过分解端到端合成规划为五个任务家族,提供透明的评估流程和定制化的评估指标,支持严谨的消融测试和压力测试。
Comments 31 pages (including references), 3 figures, 7 tables
Journal ref Scientific Data 13, 625 (2026)