Biobyte

Product Summaries BioByte provides a variety of software solutions to the drug discovery scientist that range from a chemically-oriented database system to a unified driver for ClogP/CMRprograms. 

Users will find these valuable for validation of new equations, as they are being developed. Specifically, researchers examine emerging structure-activity relationships for resemblance to others with known mechanisms. 

It also accesses synonyms which makes the number 77,000 

Over 60,000 measured Log P/log D values in different solvent systems, (mostly in octanol water). 

More than 30,000 activity entries are listed under more than 

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BioByte Corp (2006) C-QSAR program. Claremont, CA, USA, http //www.biobyte.com, last visited 13 April 2007... 

Leo, A. J. The MedChem Database, BioByte Corp. and Pomona College, Daylight Chemical Information Systems, Mission Viejo, CA, 2003. 

The 2D model was built from a wide array of descriptors, including also E-state indices, by Simulations Plus [89], The model is based on the associative neural network ensembles [86, 87] constructed from n=9658 compounds selected from the BioByte StarList [10] of ion-corrected experimental logP values. The model produced MAE = 0.24, r = 0.96 (R. Fraczkiewicz, personal communication). 

Fig. 15.1 Different tautomeric forms, dilactim (A), lacton-lactim (B) and dilacton (C and D), of maleic hydrazide (CAS-RN 123-33-1), log P = -0.56 (-0.84 in the BioByte StarList [10]).

Physicochemical Parameter Database, Medicinal Chemisry Project, Pomona College, Claremont, CA, USA (www.biobyte. com/bb/pr od/cqsar. html). 

Hansch, C., Hoekman, D., Leo, A., Weininger, D., Selassie, C.D. C-QSAR Database. Available from the BioByte Corporation, Claremont, CA, 2004, http //WWW. biobyte.com /... 

CLOGP v 4.0 for Unix, BioByte Corp., 201 W. Fourth Street, Suite 204, Claremont, CA 91711 see Leo, A. J. (1993) Calculating LogPoct from structures. Chem Rev 93, 1281-1306 and references cited within for details. 

Medchem Database, Database maintained and published by BioByte Corp and Pomona College in cooperation with Daylight Inc., Copyright 1982-2000 BioByte Corp. and Pomona College, see http //www.biobyte.com. 

Measured log Ps and CLOGP values are from BioByte software KOWWIN values were calculated from version 1.5 ACD values calculated using ver. beta 0.9 ALOGP,... 

BioByte product offerings are diverse, easy to learn, yet powerful software packages for researchers, academics, and students. BioLoom, their next generation ClogP package, calculates hydrophobic and molecular refractivity parameters, but now is linked to their database which includes over 60,000 measured log P values, as well as 14,000 pKa s. A demo version is available for download. 

Super Package /THOR BioByte (Daylight) 71 http //www.biobyte.com/index.html... 

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