Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters

Rácz, A [Rácz, Anita (kémia, kemometria...), author] Plasmachemistry (IMEC); Bajusz, D [Bajusz, Dávid (gyógyszerkémia, m...), author] Institute of Organic Chemistry (MTA TTK); Gyógyszerkémiai Kutatócsoport (IOC); Héberger, K ✉ [Héberger, Károly (Kemometria, többv...), author] Plasmachemistry (IMEC)

English Article (Journal Article) Scientific
  • SJR Scopus - Drug Discovery: Q2
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Subjects:
  • Theoretical and computational chemistry
  • Pharmaceutical chemistry
  • Chemical sciences
  • Computer and information sciences
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2024-11-07 10:08