---
title: "Advanced Molecule Search"
method: POST
path: "/api/search"
tags: ["Advanced Search"]
---

# Advanced Molecule Search

`POST /api/search`

# Advanced Molecule Search

Advanced search supports searching for molecules based on complex criteria.

## 1. Tag-Based Search (type=tags)
Search molecules based on the following tag types:

* **dataSource**: Search by collection title
  - Example: `type=tags, tagType=dataSource, query=collection_name`

* **organisms**: Search by organism names (comma-separated)
  - Example: `type=tags, tagType=organisms, query=organism_name1,organism_name2`

* **citations**: Search by DOI or title (comma-separated)
  - Example: `type=tags, tagType=citations, query=doi1,doi2,title1,title2`

## 2. Filter-Based Search (type=filters)

### Molecular Properties
* `tac`: Total Atom Count (1-1071)
* `hac`: Heavy Atom Count (0-551)
* `mw`: Molecular Weight (5.01-7860.71)
* `emw`: Exact Molecular Weight (1.00728-7855.66038)
* `mrc`: Number of Minimal Rings (0-51)
* `vdwv`: Van der Walls Volume (10.14-5177.31)
* `fc`: Formal Charge (-8 to 7)

### Chemical Properties
* `alogp`: ALogP (-82.67 to 67.03)
* `topopsa`: Topological Polar Surface Area (0.00-3453.72)
* `fcsp3`: Fraction CSP3 (0.00-1.00)
* `np`: NP Likeness (-3.53 to 4.12)
* `qed`: QED Drug Likeliness (0.00-0.95)

### Structural Features
* `rbc`: Rotatable Bond Count (0-224)
* `arc`: Aromatic Rings Count (0-31)
* `hba`: Hydrogen Bond Acceptors (0-191)
* `hbd`: Hydrogen Bond Donors (0-116)

### Lipinski Parameters
* `lhba`: Lipinski H-Bond Acceptors (0-191)
* `lhbd`: Lipinski H-Bond Donors (0-116)
* `lro5v`: Lipinski Rule of 5 Violations (0-4)

### Sugar-Related Properties
* `cs`: Contains Sugar (true/false)
* `crs`: Contains Ring Sugars (true/false)
* `cls`: Contains Linear Sugars (true/false)

### Classyfire Classifications
* `class`: Chemical Class
  - Example: 1,2-diaryl-2-propen-1-ols
* `subclass`: Chemical Sub Class
  - Example: 1,1'-azonaphthalenes
* `superclass`: Chemical Super Class
  - Example: Acetylides
* `parent`: Direct Parent Classification
  - Example: 1,1'-azonaphthalenes

### Natural Product Classifications
* `np_pathway`: NP Classifier Pathway
  - Example: Amino acids and Peptides
* `np_superclass`: NP Classifier Superclass
  - Example: Aminosugars and aminoglycosides
* `np_class`: NP Classifier Class
  - Example: 2-arylbenzofurans
* `np_glycoside`: NP Classifier Is Glycoside (true/false)

### Filter Query Examples
* Range query:
  ```
  type=filters&q=tac:4..6
  ```
* Boolean query:
  ```
  type=filters&q=cs:true
  ```
* Classification query:
  ```
  type=filters&q=class:1,2-diaryl-2-propen-1-ols
  ```
* Multiple conditions:
  ```
  type=filters&q=tac:4..6 mw:100..200
  ```
* Complex query with OR:
  ```
  type=filters&q=tac:4..6 cs:true OR mw:100..200
  ```

## 3. Basic Search (type not specified)
Search molecules by name, SMILES, InChI, or InChI Key.

* Simply provide the search term in the query parameter
* Example: `query=caffeine`

## Response `default`

Successful operation

## Other responses

- `"500"` — Server Error

---

[API](https://skmtc.dev/steinbeck-lab/apis/coconut.md) · [All operations](https://skmtc.dev/steinbeck-lab/apis/coconut/llms.txt) · [OpenAPI document](https://skmtc-service-production.skmtc.workers.dev/v1/apis/steinbeck-lab/coconut/revisions/9c38ef9e0fe4/schema)