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. Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level. Bai R; Zhang C; Wang L; Yao C; Ge J; Duan H Molecules; 2020 May; 25(10):. PubMed ID: 32438572 [TBL] [Abstract][Full Text] [Related]
4. Planning chemical syntheses with deep neural networks and symbolic AI. Segler MHS; Preuss M; Waller MP Nature; 2018 Mar; 555(7698):604-610. PubMed ID: 29595767 [TBL] [Abstract][Full Text] [Related]
8. Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention. Chen S; Jung Y JACS Au; 2021 Oct; 1(10):1612-1620. PubMed ID: 34723264 [TBL] [Abstract][Full Text] [Related]
9. Self-Driving Laboratories for Development of New Functional Materials and Optimizing Known Reactions. Soldatov MA; Butova VV; Pashkov D; Butakova MA; Medvedev PV; Chernov AV; Soldatov AV Nanomaterials (Basel); 2021 Mar; 11(3):. PubMed ID: 33801472 [TBL] [Abstract][Full Text] [Related]
10. Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation. Kondinski A; Bai J; Mosbach S; Akroyd J; Kraft M Acc Chem Res; 2023 Jan; 56(2):128-139. PubMed ID: 36516456 [TBL] [Abstract][Full Text] [Related]
11. RASA: a rapid retrosynthesis-based scoring method for the assessment of synthetic accessibility of drug-like molecules. Huang Q; Li LL; Yang SY J Chem Inf Model; 2011 Oct; 51(10):2768-77. PubMed ID: 21932860 [TBL] [Abstract][Full Text] [Related]
15. "Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space. Thakkar A; Selmi N; Reymond JL; Engkvist O; Bjerrum EJ J Med Chem; 2020 Aug; 63(16):8791-8808. PubMed ID: 32352286 [TBL] [Abstract][Full Text] [Related]
16. No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms. Chen JH; Baldi P J Chem Inf Model; 2009 Sep; 49(9):2034-43. PubMed ID: 19719121 [TBL] [Abstract][Full Text] [Related]
17. Bayesian Algorithm for Retrosynthesis. Guo Z; Wu S; Ohno M; Yoshida R J Chem Inf Model; 2020 Oct; 60(10):4474-4486. PubMed ID: 32975943 [TBL] [Abstract][Full Text] [Related]
18. A robotic platform for flow synthesis of organic compounds informed by AI planning. Coley CW; Thomas DA; Lummiss JAM; Jaworski JN; Breen CP; Schultz V; Hart T; Fishman JS; Rogers L; Gao H; Hicklin RW; Plehiers PP; Byington J; Piotti JS; Green WH; Hart AJ; Jamison TF; Jensen KF Science; 2019 Aug; 365(6453):. PubMed ID: 31395756 [TBL] [Abstract][Full Text] [Related]
19. Bioorthogonal chemistry: applications in activity-based protein profiling. Willems LI; van der Linden WA; Li N; Li KY; Liu N; Hoogendoorn S; van der Marel GA; Florea BI; Overkleeft HS Acc Chem Res; 2011 Sep; 44(9):718-29. PubMed ID: 21797256 [TBL] [Abstract][Full Text] [Related]
20. Computational Chemical Synthesis Analysis and Pathway Design. Feng F; Lai L; Pei J Front Chem; 2018; 6():199. PubMed ID: 29915783 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]