Cheminformatics Perturbation-Theory Machine Learning Laboratory
CHEM PTML
KU Leuven
Lovaina, BélgicaPublicacións en colaboración con investigadores/as de KU Leuven (3)
2007
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ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585
2006
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Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis, and in vitro assay of new purine carbanucleosides
Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 4, pp. 1095-1107
2005
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QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 6, pp. 1651-1657