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Validation of computer algorithms with University of Münster
Segler, Marwin
(CoI)
Waller, Mark
(CoI)
Preuss, Mike
(CoI)
Yuryev, Anton
(CoI)
Life Science Solutions
Content and Product Innovation
University of Münster
Overview
Fingerprint
Research output
(3)
Project Details
Description
A project between the Reaxys team and Mark Waller's team at the University of Muenster
Status
Finished
Effective start/end date
01/1/16
→
01/1/18
View all
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Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
Organic Chemistry
Engineering & Materials Science
100%
Deep neural networks
Engineering & Materials Science
99%
Molecules
Engineering & Materials Science
80%
Artificial intelligence
Engineering & Materials Science
60%
Machine learning
Engineering & Materials Science
50%
Expert systems
Engineering & Materials Science
45%
Planning
Engineering & Materials Science
43%
Chemistry
Chemical Compounds
40%
Research output
Research output per year
2017
2017
2017
3
Article
Research output per year
Research output per year
Modelling Chemical Reasoning to Predict and Invent Reactions
Segler, M.
&
Waller, M.
,
Feb 1 2017
,
In:
Wiley Online Library.
Research output
:
Contribution to journal
›
Article
›
peer-review
Chemical reactions
100%
Molecules
98%
Expert systems
94%
80
Scopus citations
Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
Segler, M.
&
Waller, M.
,
Jan 1 2017
,
In:
Chemistry - A European Journal.
23
,
25
,
p. 5966-5971
6 p.
Research output
:
Contribution to journal
›
Article
›
peer-review
Organic Chemistry
100%
Machine learning
83%
Chemistry
66%
Deep neural networks
55%
Expert systems
53%
152
Scopus citations
Planning chemical syntheses with deep neural networks and symbolic AI
Segler, M.
,
Segler, M.
,
Preuss, M.
&
Waller, M.
,
Jan 1 2017
,
In:
Nature. International journal of science.
Research output
:
Contribution to journal
›
Article
›
peer-review
Molecules
100%
Deep neural networks
99%
Artificial intelligence
89%
Planning
64%
Organic Chemistry
59%