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...