Optimise Leads in Chemistry Research using CAChe & BioMedCAChe
24 August, 2004
Shorten discovery time by using CAChe and BioMedCache to model your experiments before making compounds.
For all chemists, CAChe is a tool that speeds up research and makes life easier. BioMedCache is designed specifically for bio- and medicinal chemists. These packages aid researchers in discovering structure-activity relationships and optimising leads by maximising activity.
Shorten discovery time by using CAChe and BioMedCache to model your experiments before making compounds, saving valuable time and increasing your chances of success in the laboratory. The power of the packages enable researchers to predict properties of compounds that have never been made or properties that have never been measured. This prediction enables researchers to select those novel compounds for testing or synthesis that are most likely to be successful.
Discover relationships between computer-calculated structure descriptors and any measurable property of interest, including bulk properties of compounds. With structure-activity relationships you can predict property values for any compound, including those lacking experimental data or those that have never been synthesised.
Visualisation and Results
CAChe provides dramatic visualisation of chemical reactivity and offers easy access to powerful reaction modeling tools. For example, CAChe shows potential reactive sites on molecules with an intuitive graphical representation of atomic and molecular properties such as partial atomic charges, bond orders, bond strain, and dipoles.
Automated project management
CAChe’s ProjectLeader enables you to quickly sort, graph, and run regression analyses on compounds and results to pull out the critical information or generate QSARs to predict any property or activity.
The ProjectLeader interface within BioMedCAChe lets researchers automate, store, and analyse predicted properties for whole libraries of compounds. Users can set up spreadsheets of molecules and the calculations they want to run, automating regression techniques to help determine ADME and QSAR/QSPR predictions of any property and allowing easy comparison among molecules.
Free Worldwide Delivery for Online Orders
Order online for CAChe or BioMedCAChe from Hearne Scientific Software
For more information regarding CAChe or BioMedCAChe please contact Hearne Scientific Software.