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Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach

✍ Scribed by Robert Ponec; Lluís Amat; Ramon Carbó-dorca

Book ID
110258032
Publisher
Springer Netherlands
Year
1999
Tongue
English
Weight
104 KB
Volume
13
Category
Article
ISSN
0920-654X

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✍ Ramon Carbó-Dorca; Ana Gallegos; Ángel J. Sánchez 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 247 KB 👁 1 views

## Abstract Classical quantitative structure‐properties relationship (QSPR) statistical techniques unavoidably present an inherent paradoxical computational context. They rely on the definition of a Gram matrix in descriptor spaces, which is used afterwards to reduce the original dimension via seve