filename="drugbank_all_full_database.xml"obj=untangle.parse(filename) #Building dataframe of chemical descriptors#Data Frame of DrugBank Small Molecule Type Drugsdf_drugbank_sm=pd.DataFrame(columns=["drugbank_id
先上代码，下面的程序是提取drug id ，drug name，type，及对应靶点的uniprot id，target name，存入ite...
数据处理流程分为两步：第一步，将 XML 转换为 JSON；第二步，从 JSON 中提取所需信息。参考文章整理了代码，实现 XML 转 JSON 的功能。数据转换完成后，通过处理 JSON 文件提取信息并存为 CSV。使用 Python 代码提取 drug id、drug name、type 及靶点的 uniprot id 和 target name，输出为 items...
Pexidartinib The metabolism of Pexidartinib can be decreased when combined with Buprenorphine. Phenacemide Phenacemide may increase the central nervous system depressant (CNS depressant) activities of Buprenorphine. Phenacetin The metabolism of Phenacetin can be decreased when combined with Buprenorphine...
Pexidartinib The serum concentration of Pexidartinib can be increased when it is combined with Metronidazole. Phenacemide The therapeutic efficacy of Phenacemide can be decreased when used in combination with Metronidazole. Phenacetin The metabolism of Phenacetin can be decreased when combined with ...
DrugBank ID (Primary Accession Number)Unique DrugBank accession number consisting of a 2 letter prefix (DB) and a 5 number suffix. This ID is used to access the drug entry via the URL. If an entry is deleted, it's DrugBank ID will not be reused. ...
DrugBank IDTitleLevelIngredientsExact IngredientsStrengthRouteFormBrand DBPC0017857Tamoxifen1yesnonononono DBPC0017859Tamoxifen 10 mg2yesnoyesnonono DBPC0017861Tamoxifen Oral2yesnonoyesnono DBPC0103411Tamoxifen Tablet2yesnononoyesno DBPC0017858Tamoxifen citrate2yesyesnononono ...
(id["primary"])=="true":df_drugbank_sm.loc[i, "drugbank_id"]=id.cdata#Drug namedf_drugbank_sm.loc[i,"name"]=drug.name.cdata#Drug CASdf_drugbank_sm.loc[i, "cas"]=drug.cas_number.cdata#Get SMILES, logP, Solubility#Skip drugs with no structure. ("DB00386","DB00407","DB00702...
5050494850524950505048#对第一个元素,也就是第一个药物打印相关标签以及文本内容foriintroot[1]:print(i.tag)print(i.text)#结果,好长,这里只放一部分{http://www.drugbank.ca}drugbank-idDB00002{http://www.drugbank.ca}drugbank-idBTD00071{http://www.drugbank.ca}drugbank-idBIOD00071{http://www....
SELECTd.id,d.name,b.type,be.biodb_id,be.name,be.kind,be.organism,p.uniprot_idFROMbonds bJOINdrugs dONd.id=b.drug_idJOINbio_entities beONbe.biodb_id=b.biodb_idJOINbio_entity_components becONbec.biodb_id=be.biodb_idANDbec.component_type="Polypeptide"JOINpolypeptides pONp.uniprot_id=...