GlycoAudit：结构可连接性与注释程度影响聚糖–试剂关系排序
GlycoAudit: structural joinability and annotation degree shape glycan–agent relation ranking
GlycoAudit 在模型比较前审计聚糖从证据到结构的可连接路径，严格的登录号、分支与序列契约只保留了 173 个已解析 SugarBind 聚糖中的 44 个（25.4%），排除 129 个（74.6%）。在控制泄漏的留出正例排序中，WURCS 优于所评估的全局结构摘要，但留一试剂注释程度对照取得更高的平均倒数排名（0.491 对 0.381）和已知正例平均精度 APknown（0.489 对 0.373），WURCS 的 Recall@5 更高（0.688 对 0.456）。
来源：Bioinformatics Advances · doi.org
Motivation
Benchmark scores can be misleading when identifier resolution, structural availability, and incomplete interaction annotation determine which glycans can be evaluated. GlycoAudit audits this evidence-to-structure path before model comparison.
Results
A strict accession, branch, and sequence contract retained 44 of 173 resolved SugarBind glycans (25.4%) and excluded 129 (74.6%). The joined domain was substantially more densely annotated. Under leakage-controlled held-out-positive ranking, the Web3 Unique Representation of Carbohydrate Structures (WURCS) exceeded the evaluated global structural summaries. Yet a leave-one-agent-out annotation-degree control achieved higher mean reciprocal rank (0.491 versus 0.381) and higher known-positive average precision (APknown), 0.489 versus 0.373, whereas WURCS achieved higher Recall@5 (0.688 versus 0.456). These metric-dependent reversals show that structural joinability, annotation degree, candidate construction, and evaluation choice jointly shape apparent benchmark performance. The release evaluates positive-relation ranking, not confirmed non-binding classification or cross-source transfer.
Availability
GlycoAudit makes evidence, joining decisions, exclusions, candidates, folds, controls, and machine-readable results inspectable in the public GlycoAudit repository.