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Table 13 The scores for converging Leave-5%-Out Cross Validation regression experiments.

From: Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization

Grammar Dataset Dataset Full Name
SMILES ACE Angiotensin Converting Enzyme 0.386±29.20
  AR Androgen Receptor 0.382±18.29
  ER Estrogen Receptor 0.349±21.82
  GPB Glycogen Phosphorylase B 0.253±43.18
  AChE Acetylcholinesterase 0.193±35.26
  Therm Thermolysin −0.288±210.30
InChI ER Estrogen Receptor 0.476±11.16
  ACE Angiotensin Converting Enzyme 0.383±15.09
  Cox2 Cyclooxygenase-2 0.279±8.97
  Therm Thermolysin 0.247±25.96
  AR Androgen Receptor 0.119±79.50
  Thr Thrombin 0.088±99.79
  AChE Acetylcholinesterase 0.061±39.70
  GPB Glycogen Phosphorylase B −0.180±104.87
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BMC Bioinformatics

ISSN: 1471-2105

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