工具Tools
面向网络药理学与药物发现的分析工具集。更多工具正在陆续上线。A toolbox for network pharmacology and drug discovery. More tools are coming online.
靶点反向筛选Target Reverse Screening
靶点→候选成分（按 pChEMBL 排序、标注 ADMET）、疾病→反向筛选药材、成分→靶点垂钓，结果可导出 CSV。Target→candidate compounds (ranked by pChEMBL, with ADMET), disease→reverse herbs, compound→target fishing; CSV export.
进入工具Open tool →ADMET 分析平台ADMET Explorer
化学成分药代动力学与毒性多维评估（LogP、口服利用度、BBB、LD50）。Pharmacokinetic & toxicity profiling (LogP, oral bioavailability, BBB, LD50).
成分相似性检索Similarity Search
基于分子指纹/InChIKey 骨架的化学相似性与子结构检索。Chemical similarity & substructure search via molecular fingerprints / InChIKey.
通路富集分析Pathway Enrichment
靶点集合的通路与本体富集分析（KEGG / Reactome / GO）。Pathway & ontology enrichment over target sets (KEGG / Reactome / GO).
批量检索与下载Batch Query & Export
上传药材/成分清单，批量获取成分–靶点–疾病关联并导出。Upload a herb/compound list to batch-retrieve and export associations.
知识图谱问答Knowledge-Graph QA
面向药材–成分–靶点–疾病图谱的智能问答与机制解释。Conversational QA and mechanism explanation over the knowledge graph.