Structure-Based Searching

  • Structure-Based Searching Overview

    To search databases using a chemical structure: Draw a structure or import a structure file: Draw: Drawing and Editing Structures ...

  • Importing a Structure File

    There are two ways to import a structure file into STNext: Clicking the Import Structure button on the My Files > Structures page Clic...

  • Drawing and Editing Structures

    Use the Structure Editor within STNext to draw and edit structures; the below videos demonstrate using the Structure Editor and its fea...

  • Uploading a Structure

    There are two ways to upload a structure file into STNext: Clicking the Upload button on the My Files > Structures page Clicking the U...

  • Searching DWPI Chemical Fragmentation Codes

    STNext can translate a structure into corresponding alphanumeric fragmentation codes and search them against the WPIX or WPIDS files vi...

  • Structure Search Options in STNext

    There are four structure search options in STNext: exact, family, closed substructure, and substructure. Structure Search Type Retri...

  • Structure Search Scope

    Search Scope Retrieval Benefits SAM (SAMPLE) Search against a random portion of the file Provides an estimate for number of expect...