Structural Biology Software Database
Structural Biology Software Database

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Category: Chemistry Tools (6 entries)

A collection of Chemistry Applications (including Organic Chemistry).


CAMEO is a computer program that predicts the products of organic reactions given starting materials, reagents and conditions. It is available for SGI/IRIX, IBM/AIX, i386/Linux, Mac and VAX/VMS platforms.
View Application Entry for CAMEO


ChemApp is a programming tool from the area of computational thermochemistry. It permits the calculation of complex, multicomponent, multiphase chemical equilibria and their associated energy balances. It is available for a wide range of platforms (Mac, AIX, Solaris, IRIX, Linux, DLL and Windows)
View Application Entry for ChemApp


Kintecus is a compiler to model the reactions of chemical, biological, nuclear and atmospheric chemical kinetic and equilibrium processes. It is free and it runs on Windows, MS DOS, Linux and Unix platforms.
View Application Entry for Kintecus

Monosaccharide Browser

Monosaccharide Browser allows you to view space filling Fischer projections of monosaccharides. You can edit the structure and discover the correct name or you can select names from the classified index to discover the structure. It is implemented as a Java applet. It has been tested with Netscape 4.5 and Internet Explorer 5.0 but it should work with other Java enabled browsers.
View Application Entry for Monosaccharide Browser

pKa Predictor

pKa Predictor is a highly accurate and automated commercial tool for predicting pKa for a wide range of molecules. It utilizes ab initio quantum chemical methods to reliably predict pKa in aqueous media. The program is part of the commercial program called Jaguar which runs on Unix and Linux platforms.
View Application Entry for pKa Predictor


QikProp provides rapid predictions for physically-significant descriptors and pharmaceutically-relevant properties of neutral organic molecules such as free energies of solvation in hexadecane, octanol, and water, octanol/water partition coefficient (log P), aqueous solubility (log S), and Caco-2 cell permeabilty. It runs on UNIX, Linux and Windows platforms.
View Application Entry for QikProp

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