Metric learning for kernel ridge regression: assessment of molecular similarity
Author(s) -
Raimón Fabregat,
Puck van Gerwen,
Matthieu Haeberle,
Friedrich Eisenbrand,
Clémence Corminbœuf
Publication year - 2022
Publication title -
machine learning science and technology
Language(s) - English
Resource type - Journals
ISSN - 2632-2153
DOI - 10.1088/2632-2153/ac8e4f
Subject(s) - artificial intelligence , kernel (algebra) , principal component regression , metric (unit) , feature (linguistics) , feature vector , estimator , mathematics , euclidean distance , similarity (geometry) , pattern recognition (psychology) , kernel regression , benchmark (surveying) , machine learning , kernel method , computer science , transformation (genetics) , support vector machine , statistics , principal component analysis , image (mathematics) , discrete mathematics , geography , linguistics , operations management , philosophy , biochemistry , geodesy , chemistry , economics , gene
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