These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
3. Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties. Gallegos LC; Luchini G; St John PC; Kim S; Paton RS Acc Chem Res; 2021 Feb; 54(4):827-836. PubMed ID: 33534534 [TBL] [Abstract][Full Text] [Related]
4. Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction. Heid E; Green WH J Chem Inf Model; 2022 May; 62(9):2101-2110. PubMed ID: 34734699 [TBL] [Abstract][Full Text] [Related]
5. Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery. Li Z; Huang R; Xia M; Patterson TA; Hong H Biomolecules; 2024 Jan; 14(1):. PubMed ID: 38254672 [TBL] [Abstract][Full Text] [Related]
6. Molecular Machine Learning for Chemical Catalysis: Prospects and Challenges. Singh S; Sunoj RB Acc Chem Res; 2023 Feb; 56(3):402-412. PubMed ID: 36715248 [TBL] [Abstract][Full Text] [Related]
7. Drug-target affinity prediction with extended graph learning-convolutional networks. Qi H; Yu T; Yu W; Liu C BMC Bioinformatics; 2024 Feb; 25(1):75. PubMed ID: 38365583 [TBL] [Abstract][Full Text] [Related]
8. SELFIES and the future of molecular string representations. Krenn M; Ai Q; Barthel S; Carson N; Frei A; Frey NC; Friederich P; Gaudin T; Gayle AA; Jablonka KM; Lameiro RF; Lemm D; Lo A; Moosavi SM; Nápoles-Duarte JM; Nigam A; Pollice R; Rajan K; Schatzschneider U; Schwaller P; Skreta M; Smit B; Strieth-Kalthoff F; Sun C; Tom G; Falk von Rudorff G; Wang A; White AD; Young A; Yu R; Aspuru-Guzik A Patterns (N Y); 2022 Oct; 3(10):100588. PubMed ID: 36277819 [TBL] [Abstract][Full Text] [Related]