mCIR - Matlab Chemical Identifier Resolver

版本 1.0.0.0 (6.3 KB) 作者: Vincent Scalfani
mCIR uses the NCI/CADD CACTVS Chemical Identifier Resolver API to convert chemical identifiers.
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mCIR, Matlab Chemical Identifier Resolver, uses the NCI/CADD CACTVS Chemical Identifier Resolver API to convert one chemical structure identifier into another (e.g. IUPAC Name, chemical formula, Standard InChiKey, Standard InChI, SMILES, CAS Registry Number, and names).

引用格式

Vincent Scalfani (2024). mCIR - Matlab Chemical Identifier Resolver (https://www.mathworks.com/matlabcentral/fileexchange/62872-mcir-matlab-chemical-identifier-resolver), MATLAB Central File Exchange. 检索来源 .

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版本 已发布 发行说明
1.0.0.0