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Activity Cliffs Where QSAR Predictions Fail /

This brief introduces the readers of predictive cheminformatics to the concept of cliffs in the structure-activity landscape, which may greatly affect the data set modelability and the quality of predictions, hence generating disappointment from the performance of Quantitative Structure-Activity Rel...

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Bibliografiske detaljer
Main Authors: Roy, Kunal (Author), Banerjee, Arkaprava (Author)
Institution som forfatter: SpringerLink (Online service)
Format: Electronisk eBog
Sprog:engelsk
Udgivet: Cham : Springer Nature Switzerland : Imprint: Springer, 2025.
Udgivelse:1st ed. 2025.
Serier:SpringerBriefs in Molecular Science,
Fag:
Chemoinformatics.
Chemistry > Data processing.
Machine learning.
Cheminformatics.
Computational Chemistry.
Machine Learning.
Online adgang:https://doi.org/10.1007/978-3-032-10081-8
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