Automatic retrosynthetic route planning using template-free models-Reference-Cited by-同舟云学术

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Automatic retrosynthetic route planning using template-free models

Published:2020 Issue:12 Volume:11 Page:3355-3364
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Lin Kangjie¹²³⁴⁵^ORCID,Xu Youjun¹²³⁴⁵^ORCID,Pei Jianfeng⁶⁷³⁴⁵^ORCID,Lai Luhua¹²³⁴⁵^ORCID

Affiliation:

1. BNLMS

2. Peking-Tsinghua Center for Life Sciences at the College of Chemistry and Molecular Engineering

3. Peking University

4. Beijing

5. PR China

6. Center for Quantitative Biology

7. Academy for Advanced Interdisciplinary Studies

Abstract

Retrosynthetic pathway planning using a template-free model coupled with heuristic Monte Carlo tree search.

Funder

National Natural Science Foundation of China

National Key New Drug Creation and Manufacturing Program, Ministry of Science and Technology

Ministry of Science and Technology of the People's Republic of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/C9SC03666K

Reference49 articles.

1. Organic synthesis provides opportunities to transform drug discovery

2. LXIII.—A synthesis of tropinone

3. The Logic of Chemical Synthesis: Multistep Synthesis of Complex Carbogenic Molecules(Nobel Lecture)

4. Computer-Assisted Design of Complex Organic Syntheses

5. Computer tools for reaction retrieval and synthesis planning in organic chemistry. A brief review of their history, methods, and programs

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