Concepedia

Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for Input-Coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds

Francisco Prado-Prado, Humberto González‐Díaz, Octavio Martínez, Florencio M. Ubeira, Kuo‐Chen Chou

Bioorganic & Medicinal Chemistry · 2008 · 159 citations · 57 references

Concepts

PharmacyMedicinal ChemistryComputational ChemistryDrug DesignDrug DiscoveryChemical Space AnalysisChemical Space ExplorationComputational Drug DiscoveryMolecular ModelingMolecular SimilarityQuantitative Structure-activity RelationshipsChemical Similarity NetworksComplex NetworksComplex Reaction NetworksComputational Structure-activity ModelingComputer-aided Drug DiscoveryNetwork-based Drug DesignNetwork-based Drug DiscoveryPredictive Modeling Of Bioactivity

References

57

Complex networks: Structure and dynamics

Stefano Boccaletti, Vito Latora, Yamir Moreno et al. · Physics Reports · 2006 · 11K citations

Engineering, Organization Studies, Complex Systems +11

Network structure of cerebral cortex shapes functional connectivity on multiple time scales

Christopher J. Honey, Rolf Kötter, Michael Breakspear et al. · Proceedings of the National Academy of Sciences · 2007 · 1.8K citations · Full text

Life Sciences, Neurobiology, Neuroscience +17

Modeling the Internet's large-scale topology

Soon‐Hyung Yook, Hawoong Jeong, Albert-Ĺaszló Barabási · Proceedings of the National Academy of Sciences · 2002 · 677 citations · Full text

Computing, Computer Science, Computer Networks +16

Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

A. J. Hopfinger, Shen Wang, John S. Tokarski et al. · Journal of the American Chemical Society · 1997 · 416 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Virtual identification of essential proteins within the protein interaction network of yeast

Ernesto Estrada · PROTEOMICS · 2005 · 257 citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +15