Chemical reactions from US patents (1976-Sep2016) - figshare
Jun 13, 2017 · Reactions extracted by text-mining from United States patents published between 1976 and September 2016. The reactions are available as CML or reaction SMILES. Note that the …
deepchem/deepchem/molnet/load_function/uspto_datasets.py at …
The USPTO dataset consists of over 1.8 Million organic chemical reactions extracted from US patents and patent applications. The dataset contains the reactions in the form of reaction SMILES, which …
USPTO-50k Dataset - LDM
The USPTO-50k dataset contains a curated subset of chemical reaction examples from the United States patent literature, specifically for retrosynthesis prediction tasks.
Retrosynthesis - TDC
Chemical reactions from US patents (1976-Sep2016). Dataset License: CC0.
uspto_yield · Datasets
The USPTO dataset is a collection of reaction mined from US patents. BibTeX: title = "{Chemical reactions from US patents (1976-Sep2016)}", year = "2017", month = "6", url = …
Exploring the Diversity of Chemical Reactions in USPTO Data with …
Mar 19, 2024 · USPTO Chem_Reaction presents a comprehensive database of chemical reactions compiled from text-mined United States patents issued from 1976 through September 2016.
USPTO-LLM: A Large Language Model-Assisted Information-enriched ...
Dec 12, 2024 · It comprises over 247K chemical reactions extracted from the patent documents of USPTO (United States Patent and Trademark Office), encompassing abundant information on …
Noise Analysis and Data Refinement for Chemical Reactions from US ...
Oct 30, 2024 · To address these challenges, we employed fine-tuned large language models (LLMs) to revisit experimental sections in the US patents, performing a comprehensive analysis of noisy …
USPTO Dataset | devalab/SynFormer | DeepWiki
May 13, 2025 · It's derived from the United States Patent and Trademark Office (USPTO) patent literature and has been curated for machine learning applications in retrosynthetic analysis.
Chemical Patents - Chemistry Resources - Library at Purdue University ...
Nov 14, 2025 · Freely accessible government database consisting of the full text of U.S. patents from 1976. Produced by the American Chemical Society (ACS), SciFinder Scholar is a research tool to …
Item - Reaction SMILES CRD 1.37M dataset - figshare
Jan 17, 2025 · Collection of reaction SMILES (reactants, reagents, solvents, products) 1.37M lines total from patent literature (USPTO 1976 - 2024) and from academic literature (2.5% total).
Identifying Chemical Reactions and Their Associated Attributes in Patents
Jul 12, 2021 · In this study, we present a system to extract chemical reaction events from patents automatically.
Curable compositions and methods of catalyzing chemical reactions
The present invention is directed to methods of catalyzing chemical reactions and to curable compositions.
USPTO data Exploration | RXN yield prediction
Jan 13, 2022 · The data was extracted from the data set published by Lowe Chemical reactions from US patents (1976-Sep2016), which has catalized research on ML for chemical reactions in recent years. …
As a first step to extracting chemical reactions, a filtering step must take place to determine where reactions are described in a patent. In this paper, we introduce this new task of chemical reaction …