نتائج البحث

Using retrosynthesis to raise a possible feasible synthesis of pileotin A and B

• Authors : Chen, Shukai

• Source: Journal of Physics: Conference Series ; volume 2608, issue 1, page 012039 ; ISSN 1742-6588 1742-6596

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Artificial applicability labels for improving policies in retrosynthesis prediction

• Authors : Bjerrum, Esben Jannik; Thakkar, Amol; Engkvist, Ola ...

• Source: Machine Learning: Science and Technology ; volume 2, issue 1, page 017001 ; ISSN 2632-2153

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Completion of partial chemical equations

• Authors : Federico Zipoli; Zeineb Ayadi; Philippe Schwaller

Subjects: machine learning; artificial intelligence in chemistry; missing compounds inference

• Source: Machine Learning: Science and Technology, Vol 5, Iss 2, p 025071 (2024)

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Completion of partial chemical equations

• Authors : Zipoli, Federico; Ayadi, Zeineb; Schwaller, Philippe ...

• Source: Machine Learning: Science and Technology ; volume 5, issue 2, page 025071 ; ISSN 2632-2153

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Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3)

• Authors : Alexander M. Mebel; Marcelino Agúndez; José Cernicharo

Subjects: Astrochemistry; Interstellar dust; Laboratory astrophysics

• Source: The Astrophysical Journal Letters, Vol 945, Iss 2, p L40 (2023)

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Total synthesis of Oboflavanone B

• Authors : Ke, Shanwen; Pan, Chenghao

• Source: Journal of Physics: Conference Series ; volume 2608, issue 1, page 012043 ; ISSN 1742-6588 1742-6596

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Chemformer: a pre-trained transformer for computational chemistry

• Authors : Irwin, Ross; Dimitriadis, Spyridon; He, Jiazhen

• Source: Machine Learning: Science and Technology ; volume 3, issue 1, page 015022 ; ISSN 2632-2153

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Fast prediction of distances between synthetic routes with deep learning

• Authors : Genheden, Samuel; Engkvist, Ola; Bjerrum, Esben

• Source: Machine Learning: Science and Technology ; volume 3, issue 1, page 015018 ; ISSN 2632-2153

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Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2

• Authors : Born, Jannis; Manica, Matteo; Cadow, Joris ...

• Source: Machine Learning: Science and Technology ; volume 2, issue 2, page 025024 ; ISSN 2632-2153

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