Reaction Data Curation I: Chemical Structures and Transformations Standardization-Reference-Cited by-同舟云学术

Reaction Data Curation I: Chemical Structures and Transformations Standardization

Published:2021-08-24 Issue:12 Volume:40 Page:2100119
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Gimadiev Timur R.¹,Lin Arkadii²,Afonina Valentina A.³^ORCID,Batyrshin Dinar³,Nugmanov Ramil I.³,Akhmetshin Tagir²³,Sidorov Pavel¹,Duybankova Natalia⁴,Verhoeven Jonas⁴,Wegner Joerg⁴,Ceulemans Hugo⁴,Gedich Andrey⁵,Madzhidov Timur I.³,Varnek Alexandre¹²

Affiliation:

1. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD) Hokkaido University Kita 21 Nishi 10, Kita-ku 001-0021 Sapporo Japan

2. Laboratory of Chemoinformatics, UMR 7140 CNRS University of Strasbourg 4, Blaise Pascal str. 67081 Strasbourg France

3. Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry Kazan Federal University 18, Kremlyovskaya str. 420008 Kazan Russia

4. Janssen Pharmaceutica 30, Turnhoutseweg str. 2340 Beerse Belgium

5. Arcadia Inc. Bol'shoy Sampsoniyevskiy Prospekt 28 κopпyc 2 194044 St Petersburg Russia

Funder

Agentschap Innoveren en Ondernemen

Russian Science Foundation

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202100119

Reference72 articles.

1. Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

2. Artificial intelligence in synthetic chemistry: achievements and prospects

3. Computational prediction of chemical reactions: current status and outlook

4. Machine Learning in Computer-Aided Synthesis Planning

5. The digitization of organic synthesis

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