Pharma Algorithms

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

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). 

AB/LogP Advanced Pharma Algorithms http //www.ap-aIgorithms.com... 

We want to thank Alex Avdeef for supply with an updated log P database. Thanks are also due to Pranas Japertas (Pharma Algorithms, Canada) for calculating the test set with AB/LogP and to Remy Hoffmann (Accelrys, Prance) for doing such calculations with ALOGP98. 

ABSOLV, LSER Pharma Algorithms, Lithuania/Canada http //www.ap-algorithms.com 2D 8,9... 

Our analysis included three LSER-like models. Two of them were provided by Pharma Algorithms and differed only with respect to the used regression coeffi-... 

The ACD/Tox Suite (formerly called ToxBoxes), provided by ACD/Labs and Pharma Algorithms. Available at http //www.acdlabs.com/products/admet/tox/... 

QSAR Builder Pharma Algorithms www.ap-algorithms.com Log K, hydrogen bonding parameters, molecular properties... 

ToxFilter Pharma Algorithms Inc. ap-algorithms.com/tox filter.htm other mammalian toxicological endpoints Mammalian acute toxicity... 

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

Optimization of predietions ean be made utilizing linear as well as nonlinear relationships by means of statistieal methods to correlate chemical and physiological descriptors to experimental datasets. These statistical methods inelude multilinear partial least square analysis, principal component analysis, and neural networking. Many of these tools are included in QSPR/QSAR packages through companies sueh as Advanced Chemistry Development, SemiChem, EduSoft, BioByte, TOPKAT, MDL, ChemSilico, Pallas, Pharma Algorithms, and others. 

Pharma Algorithms, http //pharma-algorithms.com/qsar builder.htm (accessed May 2008). 

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

The solute descriptors are required in the system coefficient approach. The solute descriptors can be found in Abraham s databases for many compounds. Commercial software (Absolv Pharma Algorithms, Ontario, Canada) is also available for estimating the values of the solute descriptors from the struemre of the compounds. Experimental determination of the solute descriptors is best carried out through the use of multiple water/solvent partition coefficients (Abraham et al., 1999). However, it is difficult to determine the water/solvent partition coefficients using the traditional hquid-hquid extraction, which involves tedious manual operation, compheated sample handhng, and emulsion problems. 

Justas Dapkunas, justas pharma-algorithms.com, Faculty of Natural Sciences, Vilnius University, M.K.Ciurlionio g. 21/27, LT-03101 Vilnius, Lithuania, Andrius Sazonovas, andrius pharma-algorithms.com. Faculty of Chemistry, Vilnius University, LT-03225 Vilnius, Lithuania, and Pranas Japertas, pranas pharma-algorithms.com. Pharma Algorithms, Inc, A.Mickeviciaus g. 29, LT-08117... 

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

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