Volume 85 Issue 47 | p. 54
Issue Date: November 19, 2007

Digital Briefs

New software and websites for the chemical enterprise
Department: Science & Technology


pCEL-X is software for simulation and refinement of permeability data from Caco-2, a drug transport model, and parallel artificial membrane permeability (PAMPA) determinations. The software uses nonlinear regression to tease out passive, paracellular, carrier-mediated, active-uptake, and efflux effects from pH-dependent data. It predicts permeability coefficients from a comprehensive internal database of Caco-2 and PAMPA measurements, Abraham descriptors, and structural information. The software is PC-based and is compatible with Windows. pION,

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Noah U. Shussett writes Digital Briefs. Information about new or revised electronic products can be sent to d-briefs@acs.org.

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ISSN 0009-2347
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