Want to start using Naming Toolkit?
Inconsistent compound naming makes searching and cross-referencing your data unreliable.
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.
Chemaxon’s naming engine converts bi-directionally between chemical names and structures. It supports IUPAC names, traditional and common names, commercial drug names, and acronyms. For added flexibility, it can also reference a local, customizable dictionary or a web service to convert corporate IDs or other arbitrary text into structures.
Document to Structure detects and converts chemical names and specific molecule formats into chemical structures within your documents including PDF, HTML, XML, text files, and office formats such as DOC, DOCX, PPT, PPTX, XLS, XLSX, and ODT. Combined with an OSR (optical structure recognition) tool, it can identify and extract image-based chemical information.
All toolkit components are available through multiple programming interfaces, including Java, Python, REST API (JChem Microservices), .NET, and a command-line interface (cxcalc). Purchased toolkit components are also available for use in Instant JChem, JChem for Office and KNIME with the appropriate additional licenses.
*For a full list of available tools and detailed descriptions, visit the corresponding bundle pages.
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.
Certara delivers leading-edge solutions that empower scientists to make data-driven decisions, accelerating drug discovery timelines and improving outcomes.
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
Calculator Plugins History of Changes
Standardizer – History of Changes
Structure Checker – History of Changes
Name to Structure – History of Changes
Structure to Name – History of Changes
Document to Structure – History of Changes
JChem Microservices – History of Changes
Discovery Toolkit contains every cheminformatics toolkit we have to offer.
For more specific needs, we offer workflow-specific bundles:
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