Duaer

入门

在 Duaer 里检索生物活性

在 Duaer 里用 Duaer Data 按分子或靶点检索 ChEMBL 生物活性。一次成功查询 1 额度。本页含完整英文调用技能。

能拿到什么

Duaer 数据市场里的「生物活性」检索 ChEMBL 分子–靶点活性(类型、数值、assay、pChEMBL)。一次成功查询 1 额度。

从节点创建器的 Duaer 数据分类 选「生物活性」,或打开 数据市场 复制技能。化合物名称见 化合物和药物;基因–疾病靶点见 靶点关联。

在画布里检索

  1. 打开节点创建器,点「Duaer 数据」,再选「生物活性」。
  2. Molecule 或 Target 至少填一项(新节点默认 Molecule=aspirin)。可填名称或 CHEMBL id;名称会先解析成 ChEMBL id。
  3. Limit 默认 10,最大 20;结果优先较高 pChEMBL。点执行此步骤。

成功扣 1 额度。正式运行的交付进 数据池。

用 API 调用

  • GET https://api.duaer.com/v1/data/activities?...
  • Authorization: Bearer <Duaer key>
  • 必须提供 molecule 或 target。

密钥见 Duaer 公开 API 的身份验证。下方是与「复制技能」相同的英文技能。

调用技能(英文)

与数据市场「复制技能」一致。正文保持英文。

---
name: duaer-activities
description: >-
  Search ChEMBL bioactivities through Duaer by molecule or target.
  One successful search uses 1 Duaer credit.
---

# Duaer activities

Search ChEMBL bioactivities through Duaer with a Duaer key.

## Call

`GET https://api.duaer.com/v1/data/activities?molecule=aspirin&limit=10`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

At least `molecule` or `target` is required.

- `molecule` — molecule name or ChEMBL id (`CHEMBL25`). Names resolve via ChEMBL search. Look up PubChem names with https://skills.duaer.com/compounds.md.
- `target` — optional. Target name, gene symbol, or ChEMBL id. Alone, returns activities for that target. With `molecule`, filters both. Look up gene–disease targets with https://skills.duaer.com/targets.md.
- `limit` — optional. From 1 to 20. Default 10. Results prefer higher pChEMBL values.

## Result

Each item has `source`, `title`, `url`, `summary`, `activityId`, `moleculeChemblId`, `moleculeName`, `targetChemblId`, `targetName`, `targetOrganism`, `standardType`, `standardRelation`, `standardValue`, `standardUnits`, `pchemblValue`, `assayChemblId`, `assayDescription`, `assayType`, and `documentYear`.
Reuse `moleculeChemblId` / names when searching compounds. Reuse `targetChemblId` / gene symbols when searching targets or genes.

## Credits

One successful search uses 1 credit.
An empty search, a failed search, a compound that matches nothing, or no remaining credits uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

常见问题

只填靶点会怎样?

返回该靶点上的 ChEMBL 活性记录,优先较高 pChEMBL。

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