---
title: "Parse SMILES and compute descriptors"
method: POST
path: "/api/molecule/parse"
tags: ["molecule"]
---

# Parse SMILES and compute descriptors

`POST /api/molecule/parse`

## Request

- Base URL: `https://api.ivive.app`
- URL: `https://api.ivive.app/api/molecule/parse`
- Auth: none declared

Accepts a SMILES string, validates it, and returns physicochemical descriptors, drug-likeness filters, and a 2D SVG structure.

## Request body

- MoleculeParseRequest
  - `smiles` string, required

## Response `200`

Successful Response

- MoleculeParseResponse
  - `smiles` SmilesInfo, required
    - `input` string, required
    - `canonical` string, required
  - `descriptors` DescriptorsInfo, required
    - `mw` number, required
    - `logp` number, required
    - `tpsa` number, required
    - `hbd` integer, required
    - `hba` integer, required
    - `rot_bonds` integer, required
    - `heavy_atom_count` integer, required
    - `mol_refractivity` number, required
    - `svg` string, required
  - `filters` FiltersInfo, required
    - `lipinski` RuleFilter, required
      - `pass` boolean, required
      - `violations` string[], required
    - `veber` RuleFilter, required
      - `pass` boolean, required
      - `violations` string[], required
    - `egan` RuleFilter, required
      - `pass` boolean, required
      - `violations` string[], required
    - `ghose` RuleFilter, required
      - `pass` boolean, required
      - `violations` string[], required
    - `pains` AlertFilter, required
      - `pass` boolean, required
      - `alerts` string[], required
    - `brenk` AlertFilter, required
      - `pass` boolean, required
      - `alerts` string[], required
    - `qed` number, required

## Other responses

- `422`: Validation Error

---

[API](https://skmtc.dev/ivive/apis/ivive-app-api.md) · [All operations](https://skmtc.dev/ivive/apis/ivive-app-api/llms.txt) · [OpenAPI document](https://skmtc.dev/ivive/apis/ivive-app-api/revisions/a67615eaf584?raw)