Hongchao Ji

icon indicating a website link https://deepomics-lab.github.io/homepage/ icon indicating an email [email protected]

icon company Agricultural Genomics Institute at Shenzhen-CAAS icon location Shenzhen, China icon location I'm Hongchao Ji, a Principal Investigator at CAAS, specializing in developing MS-based data analysis methods for proteomics and metabolomics.

Results 1 comments of Hongchao Ji

Need the input chemical reaction santisfy atomic conservation?

I ask because I get something wrong: ``` reaction_smiles = '[O:1]=[S:2]([O-:3])[O-:4]>>[O:1]=[S:2]([OH:4])(=[O:5])[OH:3]' template = extract_one_template(reaction_smiles) ## function from your code c1 = reaction_smiles.split('>>')[0] ## reactant c2 = reaction_smiles.split('>>')[1] ## product rxn...