A collection of computer methods for synthesis design and reaction prediction-Reference-Cited by-同舟云学术

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A collection of computer methods for synthesis design and reaction prediction

Published:1992 Issue:6 Volume:111 Page:270-290
ISSN:0165-0513
Container-title:Recueil des Travaux Chimiques des Pays-Bas
language:en
Short-container-title:Recl. Trav. Chim. Pays-Bas

Author:

Gasteiger J.,Ihlenfeldt W. D.,Röse P.

Funder

Deutsche Forschungsgemeinschaft

SHELL Research Co.

Studienstiftung des Deutschen Volkes

Kekulé fellowship of the Fonds der Chemischen Industrie

Technische Universität München

Publisher

Wiley

Subject

General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/recl.19921110605/fullpdf

Reference41 articles.

1. Computer-Assisted Design of Complex Organic Syntheses

2. The psychobiological basis of heuristic synthesis planning - man, machine and the chiron approach

3. EROS A computer program for generating sequences of reactions

4. A new treatment of chemical reactivity: Development of EROS, an expert system for reaction prediction and synthesis design

5. Automatic estimation of heats of atomization and heats of reaction

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1. Molecular complexity as a driving force for the advancement of organic synthesis;Nature Reviews Chemistry;2024-09-09

2. Machine intelligence for chemical reaction space;WIREs Computational Molecular Science;2022-03-07

3. Artificial Intelligence in Medicinal Chemistry;Burger's Medicinal Chemistry and Drug Discovery;2021-04-28

4. Substructure-based neural machine translation for retrosynthetic prediction;Journal of Cheminformatics;2021-01-11

5. Discovery of orthogonal synthesis using artificial intelligence: Pd(OAc)2-catalyzed one-pot synthesis of benzofuran and bicyclo[3.3.1]nonane scaffolds;Tetrahedron Letters;2020-09

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