Chemical Entity Recognition
Skill Cartridge®
Extracts chemical entities such as chemical compounds, chemical classes and molecular formulae and performs name-to-structure conversion.
By TEMIS

Scope

The Chemical Entity Relationships (CER) Skill Cartridge® performs an identification and extraction of chemical compound names, chemical classes and molecular formulae from documents with unequaled accuracy:

  • Common abbreviations
  • Molecular and linearized formulae
  • Chemical classes
  • Names composed of trivial parts, molecular formulae and other additions
  • User-defined lists or patterns

Internals

Once chemical names have been extracted from the literature, a flexible and customizable name-to-structure service translates the compound names into chemical structures. CER includes support for International Union of Pure and Applied Chemistry (IUPAC) as well as Chemical Abstracts Service (CAS) registry numbers. It can be successfully used in conjunction with BER or MER to reveal the chemical compounds at play in biological and medical contexts, and can also be customized with custom lexicons. Please note, CER comes in two versions, based on MDL or OSCAR technology. Please inquire with TEMIS regarding applicable variations in functioning and output.

Typical Applications

This Skill Cartridge® allows a unique integration of the chemical literature into existing analysis processes. This ranges from ad-hoc analysis and browsing of chemical compounds related to a document to full-fledged sub-structure searches against a database of compounds extracted in a batch mode from large sets of scientific or patent documents.

Skill cartridge
Chemistry
Language(s): EN
Compatibility: Luxid® 6.2
Posting date: December 2012
Version: 3.1.35
Business model: Turnkey
Related links
CER Documentation