title: Algorithms for network analysis in systems-ADME/Tox using the MetaCore and MetaDrug platforms.
abstract: The authors have previously applied two integrated platforms, MetaCore and MetaDrug, for the assembly and analysis of human biological networks as a useful method for the integration and functional interpretation of high-throughput experimental data. The present study demonstrates in detail the specific algorithms that are used in both software platforms. Using a standard set of genes as input, namely CYP3A4 (an enzyme), PXR (a nuclear hormone receptor), MDR1 (a transporter) and hERG (an ion channel) related to the absorption, distribution, metabolism, excretion and toxicity (ADME/Tox) of xenobiotics, we have now generated networks with each algorithm. The relative advantages and disadvantages of these algorithms are explained using these examples as well as appropriate instances of utility to illustrate further the particular circumstances for their use. In addition, the benefits of the different network algorithms are identified when compared with algorithms available in other products, where this information is available.
authors.affiliation: GeneGo Inc, St Joseph, MI, USA. sean@genego.com
authors.forename: S
authors.initials: S
authors.lastname: Ekins
authors.forename: A
authors.initials: A
authors.lastname: Bugrim
authors.forename: L
authors.initials: L
authors.lastname: Brovold
authors.forename: E
authors.initials: E
authors.lastname: Kirillov
authors.forename: Y
authors.initials: Y
authors.lastname: Nikolsky
authors.forename: E
authors.initials: E
authors.lastname: Rakhmatulin
authors.forename: S
authors.initials: S
authors.lastname: Sorokina
authors.forename: A
authors.initials: A
authors.lastname: Ryabov
authors.forename: T
authors.initials: T
authors.lastname: Serebryiskaya
authors.forename: A
authors.initials: A
authors.lastname: Melnikov
authors.forename: J
authors.initials: J
authors.lastname: Metz
authors.forename: T
authors.initials: T
authors.lastname: Nikolskaya
mesh_terms: D000465:Algorithms; D051544:Cytochrome P-450 CYP3A; D003577:Cytochrome P-450 Enzyme System / Q000378:metabolism; D006801:Humans; D053858:Metabolic Networks and Pathways; D012984:Software; D014158:Transcription, Genetic; D015262:Xenobiotics / Q000378:metabolism* / Q000633:toxicity*
chemical_list: D015262:Xenobiotics; D003577:Cytochrome P-450 Enzyme System; D051544:Cytochrome P-450 CYP3A; C510163:CYP3A4 protein, human