ChiralFinder: A Computational Framework for Identifying Stereogenic Elements and Distinguishing Stereoisomers in Complex Molecules

1 How to identify stereogenic elements?
2 How to represent molecular chirality?
3 How to distinguish stereoisomers?

Instructions: Use the button below to upload a molecular structure in mol/sdf format or input the SMILES of a molecule. Choose the chiral type. Click Running. You can use the Example-SMILES or Example-File for running.

Upload Molecule File:

SMILES of the Molecule:

Chiral Type:

Central Chirality

Axial Chirality

Example SMILES:

Show Hydrogens

Item	Results
Chiral Axes / Center Id
Quadrupole Matrix
Determinant
Sign

R Shi, C Zhang, G Yu, X Huo, Y Yang. ChiralFinder: Automated Detection of Stereogenic Elements and Discrimination of Stereoisomers in Complex Molecules. ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-wz7kh.

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ChiralFinder: A Computational Framework for Identifying Stereogenic Elements and Distinguishing Stereoisomers in Complex Molecules

1 How to identify stereogenic elements?

2 How to represent molecular chirality?

3 How to distinguish stereoisomers?

Operation Results