/MS2SMILES

Primary LanguagePythonMIT LicenseMIT

MS2SMILES

Authors: Yanmin Liu, Xuan Zhang, Wei Zhao, Daming Zhu*, Xuefeng Cui* *: To whom correspondence should be addressed. Contact: xfcui@email.sdu.edu.cn

Input: fingerprint: 3609bits formula: 10bits Output: SMILES