ADME Boxes

Pharma Algorithms, Toronto, Canada. Algorithm Builder VI.8 and ADME Boxes... 

As previously mentioned the regression coefficients c, s, a, b and v vary with the parhtioning system inveshgated (e.g. a is 0.034 for octanol-water and -3.45 for dodecane-water as reported by ADME Boxes software version 3.5.), whereas E, S,... 

Fig. 72.4 Atenolol the molecular moieties that determine the value of A as calculated (0.78) by ADME Boxes software version 3.5 are evidenced in blue.

G.C. and G.E. are indebted to the University of Turin for financial support. We also thank Pharma Algorithm (http //www.ap-algorithms.com) for the complimentary copy of the ADME Boxes software (version 3.5, release date November 2006). 

ADME Boxes Pharma Algorithms Database None WWW. ap-algorithms. com... 

A recent review gives a comprehensive survey of the state of the art in modeling human bioavailability [38]. Commercial software for the prediction of bioavailability using QSAR approaches include ADME Boxes [www.ap-algorithms.com], truPK [trupk.strandgenomics.com], and KnowItAll [www.knowittallcom]. 

Two software packages, ADMET predictor (Simulations plus) and ADME Boxes (Pharma Algorithms), were used to predict the potential absorption of the... 

Dearden et al. [260,261] have compared different commercial software programs for their ability to predict pK and other properties. In their test of 653 compounds ADME Boxes performed best, although VCCLAB and ACD/Labs also performed well. To be safe, they recommend that predictions be obtained from three sources and an average taken when a calculated pK is needed. 

Pharma Algorithms ADME Boxes 3.5 3.5 ed.. Pharma Algorithms www.ap-algorithms.com Toronto. 

Comer, J. and Box, K., High throughput measurement of drug pK, values for ADME screening, JALA, 8, 55, 2003. 

Lin, P. and Selim S. (1991). Absorption, Distribution. Metabolism and Excretion (ADME) Studies of Plperonyl Butoxide in the Rat. Unpublished report no. A499- 539. Biological Test Centre, PO Box 19791, 2525 McGaw Avenue, Irvine, CA 92713-9791, USA. Undertaken for the PBO Task Force. Washington DC, USA. 

These automated assays can be used for high-throughput ADME screening in early drug discovery. The double-sink PAMPA permeability assay mimics in vivo conditions by the use of a chemical sink in the acceptor wells and pH gradient in the donor wells. The use of the pION gut-box integrated on the deck has shortened the PAMPA assay incubation time to 30 minutes. The permeability coefficient and rank order correlate well with data obtained using the in vitro Caco-2 assay and in vivo permeability properties measured in rat intestinal perfusions. 

ADM Food Additives Div., Div. Archer Daniels Midland Co., 4666 Faries Pkwy., Box 1470, Decatur, IL, 62525, USA (Tel 217-362-3949 800-553-8411 FAX 217-362-3941 Internet www.admworld.com http //food.admworld.com/food)... 

ADM Corn Processing, Div. Archer Daniels Midland Co., Box 1470, Decatur, IL, 62525,... 

J. Comer, K. Box, High-Throughput Measurement of Drug pK Values for ADME Screening, J. Assoc. 

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