PharMeBINet
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Heterogeneous biomedical pharmacological databases are important for multiple fields in bioinformatics. Hetionet is a freely available database combining diverse entities and relationships from 29 public resources. Therefore, it is used as the basis for this project. 19 additional pharmacological medical and biological databases such as CTD, DrugBank, and ClinVar are parsed and integrated into Neo4j. Afterwards, the information is merged into the Hetionet structure. Different mapping methods are used such as external identification systems or name mapping. The resulting open-source Neo4j database PharMeBINet has 2,869,407 different nodes with 66 labels and 15,883,653 relationships with 208 edge types. It is a heterogeneous database containing interconnected information on ADRs, diseases, drugs, genes, gene variations, proteins, and more. Relationships between these entities represent drug-drug interactions or drug-causes-ADR relations, to name a few. It has much potential for developing further data analyses including machine learning applications.
异构生物医学药理数据库对生物信息学的多个研究领域具有重要意义。Hetionet数据库是一款可免费获取的数据库，整合了来自29个公开资源的多样化实体与关系，因此本项目以其作为核心基础数据集。本项目额外解析并整合了包括CTD、DrugBank、ClinVar在内的19个药理、医学与生物数据库，并将其导入Neo4j图数据库中，随后将这些信息融合至Hetionet的数据库结构内。研究采用了多种映射方法，例如外部标识系统匹配与名称映射。最终得到的开源Neo4j图数据库PharMeBINet包含2,869,407个不同节点（涵盖66种节点标签）以及15,883,653条关系（涵盖208种边类型）。该数据库属于异构数据库，涵盖了药物不良反应（ADRs）、疾病、药物、基因、基因变异、蛋白质等多种关联信息。这些实体间的关系涵盖药物-药物相互作用、药物致不良反应关联等多种类型。该数据集在包括机器学习应用在内的后续数据分析研究中具有广阔的应用潜力。
