Chem-Parser is an intuitive and efficient utility designed to streamline the data curation process for QSAR (Quantitative Structure–Activity Relationship) modeling and cheminformatics workflows. This versatile tool allows users to draw chemical structures, parse multiple SMILES strings, and automatically populate a structured table with associated compound names and custom-defined value tags such as biological activity or physicochemical properties.

By enabling rapid structure-to-data mapping, Chem-Parser significantly reduces manual effort in dataset preparation, ensuring consistency and accuracy across large compound libraries. Whether you're building predictive models or managing compound repositories, Chem-Parser offers a user-friendly interface and high-throughput parsing capability that makes it an indispensable addition to any researcher's toolkit.

A must-have tool for computational chemists, medicinal chemists, and data scientists involved in drug discovery and molecular

Features

  • Molecule Sketcher
  • 3D UFF-optimized SDF Generation
  • .SMI, .XLSX and .CSV conversion
  • Fast Data Curation with SMILES and Name, Value Header TAG
  • MOL2, PDBQT Generation with Forcefield Optimization and Protonation state
  • Y-Label Processing ( MIN-MAX, STD scalar, LOG, pIC50nm and mm )
  • Image to SMILES

Project Samples

Project Activity

See All Activity >

License

GNU Library or Lesser General Public License version 3.0 (LGPLv3)

Follow Chem-Parser

Chem-Parser Web Site

Other Useful Business Software
Gen AI apps are built with MongoDB Atlas Icon
Gen AI apps are built with MongoDB Atlas

The database for AI-powered applications.

MongoDB Atlas is the developer-friendly database used to build, scale, and run gen AI and LLM-powered apps—without needing a separate vector database. Atlas offers built-in vector search, global availability across 115+ regions, and flexible document modeling. Start building AI apps faster, all in one place.
Start Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of Chem-Parser!

Additional Project Details

Operating Systems

Windows

Registered

2025-06-19