cloud

OPSIN: Open Parser for Systematic IUPAC nomenclature

Website with a tool that can parse IUPAC names for chemicals into the chemical graph notation SMILES.

Documentation

VHP4Safety Documentation

• Service introduction:
• Workflow:
• Demo:

Service Metadata

• cloud: https://opsin.ch.cam.ac.uk/
• Login required: no
• Implementation status:
• TRL:
• Type: -
• Contact: Daniel Lowe
• API Type:
• Categories: -
• Targeted users: -
• Relevant VHP4Safety Use case: -

Technical tool specifications

• Provided by:
• Citation: https://doi.org/10.1021/ci100384d
• Version:
• License:
• Source Code:
• Docker:
• Bio.tools:
• FAIRsharing:
• TeSS: https://tess.elixir-europe.org/search?q=opsin
• RSD:
• Wikipedia: