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Chemaxon Naming Toolkit

Chemical Structure to Name & Name to Structure Converter

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Naming Toolkit

Parsing through your compounds becomes a nightmare when the items aren’t named consistently. 

The Naming Toolkit bridges the gap between chemical names and structures, by providing functionalities like generating structure from name and generating IUPAC or common name from structures. This can be performed individually or in batches, helping you keep your chemical data in order.

Chemical Naming Tools

Chemical name and structure conversion

Chemaxon’s naming engine can bi-directionally convert between chemical and biochemical structures including radicals, natural products, peptide sequences and different naming standards like IUPAC names, systematic names, common names, drug commercial names, and more via a public web service. Optionally, it can reference a local user customizable dictionary, a database or a web service to convert corporate IDs or arbitrary texts to structures.

Availability

The Toolkit bundles are built to easily integrate with most systems using a range of different APIs including Java, Python, Microservices and .NET.

Toolkit Offerings

Tools Discovery Toolkit Descriptor Generation Toolkit Structure Preparation Toolkit Structure Enumeration Toolkit Naming Toolkit
hERG Inhibition

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Elemental Analysis

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Partitioning

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Solubility

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NMR Predictor

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Structural Calculations

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Isomers

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Protonation

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Standardizer

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Structure Checker

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Reactor

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Markush Enumeration

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Chemical name and structure conversion

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Workflow-Specific Toolkits

Our workflow-specific offerings are designed to serve your needs with a targeted subset of tools bundled together.

Discovery Toolkit

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Descriptor Generation Toolkit

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Structure Preparation Toolkit

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Structure Enumeration Toolkit

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With Discovery Toolkit, your data is secure

Certara holds ISO 27001 certification for Certara’s Information Security Management System (ISMS). We have implemented robust security controls, undergone rigorous risk assessments, and continuously strive for improvement. Discovery Toolkit ensures full compliance with global data protection standards, offering peace of mind for sensitive analysis.

Learn more in our Trust Center

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Why Certara

Certara delivers leading-edge solutions that empower scientists to make data-driven decisions, accelerating drug discovery timelines and improving outcomes.

  • Early drug discovery is a core area of expertise at Certara, supported by a team of highly experienced and renowned experts in the field.
  • The dynamic community of users from drug discovery empowers us to continuously refine our solutions to meet the ever-evolving demands of innovative research.

Using Chemaxon’s suite of tools as core components of our chemistry workflows, they save us time while supporting strong, science-driven decisions. What sets them apart is that their team is professional, approachable, and genuinely invested in helping us succeed.

Xin ZhangSr. Director, Cheminformatics and AI/MLCellarity

Book a Demo

Discovery Toolkit contains every cheminformatics toolkit we have to offer.

For more specific needs, we offer workflow-specific bundles:

  • Descriptor Generation Toolkit
  • Structure Preparation Toolkit
  • Structure Enumeration Toolkit
  • Naming Toolkit

 

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