Reaction SMILES CRD 1.44M dataset

<pre>Collection of reaction SMILES (reactants, reagents, solvents, products) 1.44M lines total from patent literature (USPTO 1976 - 2025), some EPO data (1,2%) and data from academic literature (2.7% total). Data converted from existing USPTO dataset (1976 - 2016) 1] with data cleaning and USPTO data generated by custom design (2017 - current). Data extraction by OSCAR (semantic) or ChatGPT (LLM), molecule identification by OPSIN and custom synonym list. All SMILES are RDKit-safe with duplicate reactions removed. Please note that the data have been collected in an semi-automated process, the dataset is certainly not without errors.More information on https://kmt.vander-lingen.nl.<br><br>1] Chemical reactions from US patents (1976-Sep2016) https://doi.org/10.6084/m9.figshare.5104873</pre>