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放射性药物时间依赖体内行为研究：实际实验主线总图 - Coggle Diagram

- - - - → 半衰期、清除、滞留、AUC/TIA、TBR、tumor/OAR选择性
        
        → 成像窗口、剂量学、候选物排序与临床转化
- - - - → strict v4/v4.1多批次筛选
        
        → explicit half-life、serial PK/TAC、time-course biodistribution、dosimetry、in-vitro stability等标签
        
        → high / medium-review / low / exclude与full-text priority
        
        → 高价值全文候选集合
  - - - → PDF/XML下载与canonical映射
        
        → 排除OCR困难或不可读全文
        
        → 7,248篇non-OCR全文集合
  - - - → PDF使用pdftotext/pypdf、XML直接解析
        
        → half-life、t1/2、terminal、elimination、alpha/beta等候选片段定位
        
        → CSU/DeepSeek LangExtract批量抽取
        
        → pilot5/pilot100/single300/single1000
        
        → parallel500/900/2000/3000与remaining outputs
        
        → error/empty_result重试与最新输出覆盖
  - - - → success / no_candidate / empty_result / error
    - - → 药物、核素、靶点/载体
      - → 半衰期数值、单位、范围、统计形式
      - → physical / biological-PK / effective / model-phase / in-vitro stability
      - → blood/plasma/organ/tumor/whole-body/ROI
      - → 采样、PET/SPECT TAC、生物分布、房室/指数模型
    - - → 24,565条去重半衰期记录
        
        → biological-PK 9,255条
        
        → 初步include 5,662条，覆盖2,009篇文献
  - - - → 识别266个受影响PMID
        
        → 删除旧污染记录
        
        → no-example multi-key v003重跑
        
        → 24,662条污染同步记录，污染模式归零
    - - → physical/effective/biological混淆检查
      - → 单位、相位、matrix、decay correction核对
      - → include/review/exclude枚举标准化
  - - - → half_life_v2_structuring dry-run与multi-key比较
        
        → drug-unit级重构
        
        → record category、half-life type、retention、model eligibility
        
        → test500与人工QC
        
        → 全量结构化、单位换算与候选隔离
  - - - → quarantined records剔除
        
        → model-ready systemic PK candidates
        
        → PET tracer subset
        
        → PK standardized modeling counts
        
        → drug structure enrichment
        
        → Tier A/模型就绪汇合层 H
- - - - → high_value_union Excel/CSV
        
        → 当前PDF路径映射
        
        → 缺失全文manifest v001-v010rr连续刷新
  - - - → PMC PDF/XML/OAI/oa_package
    - - → 出版社直链、Elsevier API、Wiley、ACS等队列
    - - → PubMed metadata/标题/第一全文URL解析
    - - → InstSci/CloakBrowser/机构访问
    - - → 0824papers、0826pdfs、260826pdfs_02/03、20260803_pdfs、260903pdfs
  - - - → 标题、作者、期刊、年份、DOI、PMID交叉核对
        
        → OCR/文本长度/页数/文件hash检查
        
        → target article / supplement / cited article / wrong PDF / unknown
    - - → downloaded_pdfs_20260825 full identity audit v004-v010
      - → 0826/260826 PDF identity reconciliation与二次裁决
      - → newly matched local PDFs与still-missing manifest
  - - - → document role rule engine v001/v002/v003 multi-evidence
        
        → target_primary / target_supplement / review / thesis-chapter / wrong document等
        
        → HTML/offline reviewer packages
        
        → 人工复核与reconciliation
    - - → 359 + 16 + 171 verified coverage
        
        → 375 + 171 PDF recovery
        
        → 354 + 16 + 171 local parse
  - - - → MinerU正文/表格解析
        
        → DECIMER结构图恢复
        
        → 541篇当前MinerU/DECIMER逐篇报告
        
        → two_gate_541 completion audit
        
        → 可进入D线endpoint抽取、F线结构富集和G线证据研究
- - - - → activity_info exhaustive scan
        
        → 候选药物单元与原始单元格
  - - - → activity、uptake、PK、potency、dosimetry记录
        
        → study status + record tables + raw cells
        
        → review current与人工复核
  - - - → categorical endpoint states
        
        → semantic common indicators
        
        → qualitative feature dictionary
  - - - → 1,752个最新成功药物
        
        → 3,655条uptake observations
        
        → 1,345条PK/potency/dosimetry observations
        
        → drug_modeling_wide + long tables
        
        → 模型就绪汇合层 H
- - - - → endpoint-entity-context aligned records
  - - - → model_ready_layered_datasets
        
        → contamination-synced版本
  - - - → model_ready risk audit v001/v002/v003
        
        → critical/high-risk隔离与manual QC queue
  - - - → nonstructure baseline
        
        → baseline error analysis
        
        → aggregate internal fold >10 queue
        
        → targeted blinded QC
        
        → entity enrichment P1-P3
        
        → evaluation-data touch registry防泄漏
- - - - → TBR(t)
        
        → 最佳/可用成像窗口
        
        → delayed imaging价值
- - - - → scaffold split
        
        → family-held-out
        
        → molecular OOD
        
        → temporal generalization
        
        → prospective evidence
- - - - → secondary adjudication → document-role回填
- - - - → PMID去重与DOI/PMCID规范化
        
        → 90,825个唯一PMID基础全集
        
        → 标题、摘要、期刊、年份、MeSH、全文链接
- - - - → calibration383补回旧半衰期管线漏掉的PTBD案例
        
        → CSU PETBD v001/v002全量筛选
        
        → petbd_high_value / petbd_review / petbd_low_value / petbd_exclude
        
        → fulltext_download / endpoint_extraction / table_figure_extraction / manual_review
    - - → 94,411行历史/重跑记录
        
        → canonical为90,825个唯一PMID，missing=0、extra=0
  - - - → candidate manifest与PDF覆盖核对
        
        → Stage 1 evidence-task planner
        
        → 14,681篇的endpoint-specific extraction tasks
        
        → evidence_units.jsonl
  - - - → smoke test
        
        → pilot100
        
        → PETDB numeric pilot300
        
        → tissue-distribution专项
        
        → full task extraction
        
        → studies / records / errors / run summary
  - - - → 对齐PTBD v20240912
        
        → 521个PTBD PMID、1,056行参考记录
        
        → paper-level、organ-cell、drug-aligned benchmark
        
        → organ-cell recall proxy与错误类型分析
        
        → organ_missing / stage1_missing / nonstandard enum缺口
  - - - → MinerU table-focused pilot
        
        → organ_missing 20篇 + positive controls 10篇 + stage1_missing 10篇
        
        → table blocks收集
        
        → table=false与table=true比较
        
        → table-true pilot v001/v002
        
        → true PETBD high-value full解析
        
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  - - - → 多级表头、跨行/跨列单元格与单位作用域恢复
        
        → MinerU enhanced extraction pilot21 + failed retry + merged
        
        → PTBD benchmark
        
        → drug-group alignment
        
        → target-primary/full-results报告
  - - - → PK potential triage 8,198
        
        → endpoint extraction pilot20/pilot300/fulltext-priority1000
        
        → actionable 7,910合并
        
        → remaining 6,910继续抽取与失败11篇重试
  - - - → serial biodistribution tissue uptake标准化
        
        → organ、time、%ID/g、%ID/organ、SUV等统一
      - → image TAC/SUV/ROI标准化
      - → dosimetry/residence/TIAC标准化
      - → blood/systemic PK与in-vitro stability分流
        
        → normalized modeling index
        
        → modeling readiness tier 1/2/3/4
        
        → 模型就绪汇合层 H
- - - - → PubChem direct search
        
        → SMILES/InChI/结构可得性
        
        → drug_structure_enrichment v001/v002
  - - - → 识别结构图/compound panel
        
        → DECIMER OCR/化学结构识别
        
        → target-primary DECIMER结果
        
        → 结构身份人工核验
  - - - → exact radiopharmaceutical
        
        → chelator/linker/targeting motif/radionuclide/labeling site
        
        → measured analyte与代谢物关联
  - - - → manual curated v002
        
        → contamination-synced structure enrichment
        
        → Tier A entity enrichment优先队列
        
        → 模型就绪汇合层 H
- - - - → validate/preflight/freeze input corpus
        
        → Gemma-3-27B P0 classification
        
        → biodistribution与其他表格候选
        
        → technical failure retry
        
        → consolidated extraction_candidates.csv
  - - - → 读取source_table.html
        
        → occupancy-aware logical grid
        
        → hierarchical header paths
        
        → unit scope resolution
        
        → per-cell provenance + conservation QC
  - - - → metal radionuclide candidate census
        
        → metal / mixed / possible-needs-review分层
    - - → header12 + DECIMER
    - - → M0/M1 dual extraction
    - - → flat normalized records → organ/time/value/unit → tissue normalization
        
        → 模型就绪汇合层 I
- - - - → 同骨架不同linker/PEG/charge/size
        
        → cleavable vs non-cleavable
        
        → residualizing vs non-residualizing label
  - - - → matched_pairs_enriched
        
        → renal passage/reabsorption/retention证据
        
        → evidence quality summary + gap matrix + report-source
- - - - → ΔU_tumor(t)与ΔU_OAR(t)
        
        → Δtumor AUC/TIA与ΔOAR AUC/TIA
        
        → Δtumor/OAR selectivity
        
        → lead selection与治疗窗口
- - - - → trajectory shape
        
        → candidate rank
        
        → AUC/TIA rank
        
        → absorbed dose
        
        → toxicity/response