Molecular Topology and Drug Design Unit
UDF-TM
Universidad CEU Cardenal Herrera
Valencia, EspañaPublications in collaboration with researchers from Universidad CEU Cardenal Herrera (11)
2013
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Efficacy and activity prediction by molecular topology of new drugs against the tetranychus urticae plague
Combinatorial Chemistry and High Throughput Screening, Vol. 16, Núm. 6, pp. 473-483
2011
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Chemistry explained by topology: An alternative approach
Combinatorial Chemistry and High Throughput Screening, Vol. 14, Núm. 4, pp. 279-283
2009
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A review on molecular topology: Applying graph theory to drug discovery and design
Naturwissenschaften, Vol. 96, Núm. 7, pp. 749-761
2006
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Application of a mathematical topological pattern of antihistaminic activity for the selection of new drug candidates and pharmacology assays
Journal of Medicinal Chemistry, Vol. 49, Núm. 12, pp. 3667-3673
2005
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New potential antihistaminic compounds. Virtual combinatorial chemistry, computational screening, real synthesis, and pharmacological evaluation
Journal of Medicinal Chemistry, Vol. 48, Núm. 4, pp. 1260-1264
2004
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New hypoglycaemic agents selected by molecular topology
International Journal of Pharmaceutics, Vol. 278, Núm. 1, pp. 111-118
2003
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Application of molecular topology to the prediction of antifungal activity for a set of dication-substituted carbazoles, furans and benzimidazoles
Journal of Molecular Structure: THEOCHEM, Vol. 624, Núm. 1-3, pp. 97-107
2002
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Use of molecular topology for the prediction of physicochemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs
International Journal of Pharmaceutics, Vol. 246, Núm. 1-2, pp. 111-119
2001
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Optimization of a mathematical topological pattern for the prediction of antihistaminic activity
Journal of Computer-Aided Molecular Design, Vol. 15, Núm. 6, pp. 561-572
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Prediction of the chemiluminescent behavior of pharmaceuticals and pesticides
Analytical Chemistry, Vol. 73, Núm. 17, pp. 4301-4306
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Search of a topological pattern to evaluate toxicity of heterogeneous compounds
SAR and QSAR in environmental research, Vol. 12, Núm. 1-2, pp. 237-254