Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?
- Author
- VARNEK, Alexandre1 ; BASKIN, Igor1 2
[1] Laboratoire d'Infochimie, UMR 7177 CNRS, Universite de Strasbourg, 4, rue B. Pascal, Strasbourg 67000, France
[2] Department of Chemistry, Moscow State University, Moscow 119991, Russian Federation - Source
Journal of chemical information and modeling. 2012, Vol 52, Num 6, pp 1413-1437, 25 p ; ref : 344 ref
- ISSN
- 1549-9596
- Scientific domain
- Chemistry; Computer science
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- Russian
- Keyword (fr)
- Activité Ajustement modèle Compilation Diagramme phase Développement logiciel Intelligence artificielle Mode statistique Modélisation Nomenclature Relation structure propriété Type donnée Modèle donnée
- Keyword (en)
- Activity Model matching Compilation Phase diagram Software development Artificial intelligence Statistical mode Modeling Nomenclature Property structure relationship Data type Data models
- Keyword (es)
- Actividad Ajustamiento modelo Compilación Diagrama fase Desarrollo logicial Inteligencia artificial Modo estadístico Modelización Nomenclatura Relación estructura propiedad Tipo dato Modelo de datos
- Classification
- Pascal
- 001 Exact sciences and technology / 001A Sciences and techniques of general use / 001A02 Mathematics / 001A02H Probability and statistics / 001A02H02 Statistics / 001A02H02M Inference from stochastic processes; time series analysis
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B07 Memory organisation. Data processing / 001D02B07B Data processing. List processing. Character string processing
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02C Artificial intelligence
- Discipline
- Computer science : theoretical automation and systems General chemistry and physical chemistry Mathematics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 26068102
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ci200409x 
https://dx.doi.org/10.1021/ci200409x
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