Learning molecular classes from small numbers of positive examples using graph grammars

DOI10.1007/978-3-030-74432-8_1MaRDI QIDQ2061988zbMATH OpenOpenAlexFDO

Authors Ernst Althaus, Andreas Hildebrandt, Domenico Mosca

Publication date 21 December 2021

Full work available at URL https://doi.org/10.1007/978-3-030-74432-8_1

zbMATH Keywords

machine learninggraph grammarsmolecular classes

Mathematics Subject Classification ID

Learning and adaptive systems in artificial intelligence (68T05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

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Cites work

• Scikit-learn: machine learning in Python

Cited in

(3)

• Learning an efficient constructive sampler for graphs
• scientific article; zbMATH DE number 1342097 (Why is no real title available?)
• A randomized exhaustive propositionalization approach for molecule classification

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