CambridgeMolecularEngineering / chemdataextractor2

ChemDataExtractor Version 2.0
Other
120 stars 28 forks source link

Unsupported Entities #18

Open ELchem opened 2 years ago

ELchem commented 2 years ago

Is there a way to add unsupported entities such as RNA/DNA strings in a similar way that you can add new properties?

ti250 commented 2 years ago

In what way do you want to do this? I'm not entirely sure what you want to extract but if the way these strings are written is quite formulaic, you could write some parse rules that support this.

ELchem commented 2 years ago

Is there documentation on writing parse rules somewhere? I would like to find melting points associated with RNA/DNA strands

tcaceresm commented 2 years ago

This may be helpful. https://cambridgemolecularengineering-chemdataextractor-development.readthedocs-hosted.com/en/latest/introduction/new_property.htm I have been doing something similar to you, which is finding new properties associated with specific molecules (RNA/DNA in your case). The parser for melting temperature is already implemented in ChemDataExtractor, so you shouldn't worry about that. What I would do in your case is to create a parser file, which simply "finds" the RNA/DNA mentions, and then create a class in model.py that relates the RNA/DNA mention to themelting point.

ELchem commented 2 years ago

Thanks for the suggestion tcaceresm!