In a chemical selection, you specify a set of constraints on physical properties and/or molecular substructures and then Synapse examines every chemical in a selected knowledge base identifying those chemicals that satisfy the input constraints.
The Chemical Selections Chapter is found in chemical selection documents. The chapter stores constraints and selection results.
The chapter's datapane is divided into five sections:
Section | Description |
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Source Knowledge Base Section | used to record the knowledge base that will be used as the source of all chemical candidates, physical property data and estimation techniques. |
Constraints Section | contains one large field managing the storage and editing of the physical and structural constraints used to constrain the selected chemical candidates. |
Candidates Section | displays the chemical candidates and their constraint evaluation results in tabular and graphical formats. |
General Notes Section | used to store any general notes about the current selection. Often a brief summary of the selection's objective is entered in this field. |
Associated Documents Section | used to store links to any documents associated with the current selection. |
The Chemical Selections chapter has commands for reporting results and selecting chemicals. These commands are available from the chapter's Commands menu.
The menubar provides numerous other commands for navigation, bookmarking, file operations, units conversion, etc. See the documentation on Common Commands for details.
Topic | Description |
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Getting Started using Synapse | provides a quick tour of Synapse's capabilities including examples of chemical product design. |
Getting Started using Cranium | provides a quick tour of Cranium's capabilities including a discussion of structure editing. |
Estimating Chemical Properties | a short video demonstrating how to estimate the physical properties of chemicals using either Synapse or Cranium. |
Estimating Mixture Properties | a short video demonstrating how to estimate the physical properties of mixtures using either Synapse or Cranium. |