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  • https://doi.org/10.5281/zenodo.13146Copy DOI Icon

Rdkit: 2014_09_2 (Q3 2014) Patch Release

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Abstract

****** Release_2014.09.2 ******* (Changes relative to Release_2014.09.1) Acknowledgements: Sereina Riniker, Nadine Schneider, Paolo Tosco Bug Fixes: SMILES parser doing the wrong thing for odd dot-disconnected construct (github issue #378) O3A code generating incorrect results for multiconformer molecules (github issue #385) Suppliers probably not safe to read really large files (github issue #392) Torsion constraints not worrking properly for negative torsions (github issue #393) Core leak in reactions (github issue #396)

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