Online Chemical e-Laboratory

ChemoSophia is a company specializing in software development and its online application for cheminformatics, bioinformatics, computational toxicology researches as well as physicochemical properties calculation.

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ChemoSophia - Video guide

You can download our AlteQ orbital-free method for assessing complementarity of receptor-ligand complexes and 3D map of electron density here:

AlteQ_map_enzyme_ligand for Windows 27 Feb 2021

AlteQ_map_enzyme_ligand for Linux 27 Feb 2021

Supporting information and examples of maps

Register now to start your own AUTOMATIC computations for FREE using our Online Available Software . Login, upload your chemical structure in SDF format (you can use OpenBabel to convert molecules into SDF from other formats), select necessary software and start computations. Result files will appear on the right in My ChemoSophia.

Have a problem with results of computations? Write to Support Team and we will help you.

Now we are calculating 1833 molecules
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Modelling of 3D and 4D molecular structure

Calculation of descriptors and molecular superimposition

Physicochemical properties calculation

Drug discovery and design services

Single molecule calculations (molecular and atomic characteristics, electron properties)

Large molecular systems (up to 10 000 atoms and more): Organic, Elementorganic and Inorganic molecules

Design of new materials, new reactants. Prognosis of properties and reactivity interesting for a customer
 
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