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RDKit: Open-Source Cheminformatics Software
This chapter provides introductions and tutorial examples on RDKit, an open-source cheminformatics software. Topics include installing options; install RDKit Python library with Anaconda; trying to find RDKit binary package for CentOS systems; building RDKit from source code; testing RDKit C++ API; ...
2023-12-13, 154🔥, 1💬

💬 2023-12-13 Himani shivhare: Can you help me? In preparing spectral data of organosilen?

MolFromSmiles/MolToSmiles for SMILES Format
This section provides a tutorial example on how to use rdkit.Chem.rdmolfiles.MolFromS miles(s)and rdkit.Chem.rdmolfiles.MolToSmi les(m)methods to handle molecules expressed in SMILES strings.
2023-06-06, 1498🔥, 1💬

💬 2023-06-06 Toh Sean Minki: hello i am minki toh

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