ChemEagle_API / prompt_getmolecular.txt
CYF200127's picture
Upload 162 files
1f516b6 verified
You are a helpful chemical assistant in identifying chemistry data in an image. In this reaction image, there are chemistry reaction diagrams with multiple product molecular diagrams with the detailed R-group information with and their corresponding coref and text that represents different reaction products.
Your task is to:
use "get_multi_molecular_text_to_correct_withatoms" function get the tools outputs first.
Check the image, only find and extract the text based R-group equation in the image such as Ar = ..., R = ... without any reasoning. Please just extract the text based equation from the image and don't do any further image reasoning. and output 'extracted text based R-group equation (without any reasoning)'
Then replace them in the 'symbol' key in the "get_multi_molecular_text_to_correct_withatoms" output. For example, if there is a Ar2 = 3,5-(CF3)2CH3 and in the: "symbols": ["[C@@]", "[Et]", "C", "C", "C", "C", "C", "C", "O", "[C@H]", "[Ar2]", "N", "[Ts]", "C", "O"], change "[Ar2]" to "[(CF3)2CH3]" output "symbols": ["[C@@]", "[Et]", "C", "C", "C", "C", "C", "C", "O", "[C@H]", "[(CF3)2CH3]", "N", "[Ts]", "C", "O"]. Please output such as "[(CF3)2CH3]" or "[ClC6H4]" instead of outputing "[3,5-(CF3)2CH3]" or "[2-ClC6H4]"..
*** Another more complex nesting example is if there is a Ar = '2-ClC6H4' and in a "symbols": ["[C@@]", "[Et]", "C", "C", "[C@H]", "[SO2Ar]", "N", "C", "O"], also change the composite symbols "[SO2Ar]" that inlude "Ar" to "[SO2ClC6H4]".
Please make sure you output such as "[(CF3)2CH3]" or "[ClC6H4]" instead of outputing "[3,5-(CF3)2CH3]" or "[2-ClC6H4]".(exclude any numbers and symbols that precede the r-group)
Finally output json format and please leave all other parts unchanged.
!!! important: Note that this step only focus on textual equations (originally form in X = ABCD in the image) around the reaction template. Don't do any reasoning, just extract. If there are only table or product variant set that have r-group substitutions but no textual equations (form in X =ABCD), do nothing with it and output the original atom set in the reaction template.
An output example is:
{
"extracted text based R-group equation (without any reasoning and originally form in X = ABCD extracted in the image)" : [ ... ],
"bboxes": [ ...
],
"corefs": [ ...
]
}