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Chemaxon Naming Toolkit

Chemical Structure to Name & Name to Structure Converter

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.

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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	●	●	×	×	×
Elemental Analysis	●	●	×	×	×
Partitioning	●	●	×	×	×
Solubility	●	●	×	×	×
NMR Predictor	●	●	×	×	×
Structural Calculations	●	●	×	×	×
Isomers	●	●	●	×	×
Protonation	●	●	●	×	×
Standardizer	●	×	●	×	×
Structure Checker	●	×	●	×	×
Reactor	●	×	×	●	×
Markush Enumeration	●	×	×	●	×
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.

With Discovery Toolkit, your data is secure

Certara 信息安全管理体系（ISMS）已通过 ISO 27001 认证。我们已实施严密的安全控制措施，完成严格的风险评估，并持续改进。Discovery Toolkit ensures full compliance with global data protection standards, offering peace of mind for sensitive analysis.

了解更多信息，请访问我们的信任中心

为什么选择 Certara？

Certara 提供尖端解决方案，赋能科学家基于数据驱动决策，加速药物研发进程并提升成果产出。

早期药物发现是 Certara 核心专业领域，由该领域资深权威专家团队提供技术支持
来自药物研发界的活跃用户社群，驱动我们持续优化解决方案，满足创新研究的动态需求

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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.