Skip to content

Distinguish between solvent and acid/base #80

@dswigh

Description

@dswigh

When trust_labelling=False, we are identifying solvents as any molecule that doesn't contribute atoms to the products AND is part of our solvents_set. However, molecules that sometimes act as solvents can other times act as acid/bases; identifying the different role of molecules to this depth is a difficult problem, and beyond the scope of this project.

Metadata

Metadata

Assignees

No one assigned

    Labels

    enhancementNew feature or requestwontfixThis will not be worked on

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions