Fuzzy clustering as rational partition method for QSAR

Various methods are used to make the partition of data sets for QSAR development and model validation. In this work we used a fuzzy minimals partitioning and we compare this methodology with another rational partition methods like k-means clustering (KMS) and Minimal Test Set Dissimilarity (MTSD). F...
Ausführliche Beschreibung

Gespeichert in:
Autor*in:

Pérez-Garrido, Alfonso [verfasserIn]

Girón-Rodríguez, Francisco

Bueno-Crespo, Andrés

Soto, Jesús

Pérez-Sánchez, Horacio

Helguera, Aliuska Morales

Format:

E-Artikel

Sprache:

Englisch

Erschienen:

2017transfer abstract

Schlagwörter:

Validation

Minimal Test Set Dissimilarity

Fuzzy clustering

Extreme Learning Machine

QSAR

Data partition

Regression

k-means clustering

Umfang:

6

Übergeordnetes Werk:

Enthalten in: Migration and characterisation of nanosilver from food containers by AF4-ICP-MS - Artiaga, G. ELSEVIER, 2015, Amsterdam [u.a.]

Übergeordnetes Werk:

volume:166 ; year:2017 ; day:15 ; month:07 ; pages:1-6 ; extent:6

Links:

Volltext

DOI / URN:

10.1016/j.chemolab.2017.04.006

Katalog-ID:

ELV040340961

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