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Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment.

• Authors : Zeng K; MoE Key Laboratory of Artificial Intelligence, AI Institute, Shanghai Jiao Tong University, Shanghai, 200240, Shanghai, China.; Yang B

• Source: Journal of cheminformatics [J Cheminform] 2024 Jul 15; Vol. 16 (1), pp. 80. Date of Electronic Publication: 2024 Jul 15.Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946

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RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking.

• Authors : Li J; College of Chemistry and Molecular Engineering, Peking University, No. 5 Yiheyuan Road, Beijing, 100871, China.; Fang L

• Source: Journal of cheminformatics [J Cheminform] 2023 Jun 08; Vol. 15 (1), pp. 58. Date of Electronic Publication: 2023 Jun 08.Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946

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G 2 Retro as a two-step graph generative models for retrosynthesis prediction.

• Authors : Chen Z; Computer Science and Engineering, The Ohio State University, Columbus, OH, 43210, USA.; Ayinde OR

• Source: Communications chemistry [Commun Chem] 2023 May 30; Vol. 6 (1), pp. 102. Date of Electronic Publication: 2023 May 30.Publisher: Springer Nature Country of Publication: England NLM ID: 101725670 Publication Model: Electronic Cited Medium: Internet ISSN: 2399-3669

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RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction.

• Authors : Yan C; Computer Science and Engineering, University of Texas at Arlington, Arlington, TX 76019, USA.; Zhao P

Subjects: Chemistry Techniques, Synthetic*/Chemistry Techniques, Synthetic*/Chemistry Techniques, Synthetic*/methods ; Machine Learning*; Models, Chemical

• Source: Biomolecules [Biomolecules] 2022 Sep 19; Vol. 12 (9). Date of Electronic Publication: 2022 Sep 19.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101596414 Publication Model: Electronic Cited Medium: Internet ISSN: 2218-273X

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CNN-based two-branch multi-scale feature extraction network for retrosynthesis prediction.

• Authors : Yang F; Institute of Artificial Intelligence, School of Computer Science, Wuhan University, Wuhan, China.; Liu J

Subjects: Neural Networks, Computer* ; Research*

• Source: BMC bioinformatics [BMC Bioinformatics] 2022 Sep 02; Vol. 23 (1), pp. 362. Date of Electronic Publication: 2022 Sep 02.Publisher: BioMed Central Country of Publication: England NLM ID: 100965194 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2105

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Deep learning in retrosynthesis planning: datasets, models and tools.

• Authors : Dong J; College of Information Science and Engineering, Hunan University, 2 Lushan S Rd, Yuelu District, 410086, Hunan, China.; Zhao M

Subjects: Artificial Intelligence* ; Deep Learning*

• Source: Briefings in bioinformatics [Brief Bioinform] 2022 Jan 17; Vol. 23 (1).Publisher: Oxford University Press Country of Publication: England NLM ID: 100912837 Publication Model: Print Cited Medium: Internet ISSN:

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Improving the performance of models for one-step retrosynthesis through re-ranking.

• Authors : Lin MH; Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore, 637371, Singapore.; Tu Z

• Source: Journal of cheminformatics [J Cheminform] 2022 Mar 15; Vol. 14 (1), pp. 15. Date of Electronic Publication: 2022 Mar 15.Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946

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A Retrosynthesis Approach for Biocatalysis in Organic Synthesis.

• Authors : de Souza ROMA; Biocatalysis and Organic Synthesis Group, Federal University of Rio de Janeiro, Chemistry Institute, 21941909, Rio de Janeiro, Brazil.; Miranda LSM

• Source: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2017 Sep 07; Vol. 23 (50), pp. 12040-12063. Date of Electronic Publication: 2017 Jun 22.Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 9513783 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3765

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Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction.

• Authors : Segler MHS; Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstr. 40, 48149, Münster, Germany.; Waller MP

• Source: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2017 May 02; Vol. 23 (25), pp. 5966-5971. Date of Electronic Publication: 2017 Feb 22.Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 9513783 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3765

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Biocatalytic retrosynthesis.

• Authors : Turner NJ; School of Chemistry, University of Manchester, Manchester Institute of Biotechnology, Manchester, UK. ; O'Reilly E

Subjects: Biocatalysis*; Chemistry Techniques, Synthetic/Chemistry Techniques, Synthetic/Chemistry Techniques, Synthetic/*methods ; Organic Chemicals/Organic Chemicals/Organic Chemicals/*metabolism

• Source: Nature chemical biology [Nat Chem Biol] 2013 May; Vol. 9 (5), pp. 285-8.Publisher: Nature Pub. Group Country of Publication: United States NLM ID: 101231976 Publication Model: Print Cited Medium: Internet ISSN:

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