High Throughput LogP Calculation is just a click away from ISIS/Base Introducing AccuLogP from MicroSimulations
Productive information flow through task-oriented integration - Calculate logP values for hundreds of compounds in a few minutes on your desktop PC Click this button in AccuLogP to launch This command button is added to Microsoft Excel via ActiveX automation. the ISIS/Base menu when you install The calculated logP values and data retrieved AccuLogP. Simply click the button and your from ISIS/Base are automatically copied to selected compounds are copied to AccuLogP. Excel and displayed in a spreadsheet... ready for The logP values are calculated automatically correlation analysis. and displayed in a spreadsheet.
Coming soon... AccuProperties -for high throughput calculation of 2D descriptors & 3D properties • Similar information flow to AccuLogP. Calculate 3D properties, including 3D • Calculate Molecular Shape Index, size, surface, volume, and dipole. including symmetry, cyclicity, centrality Intuitive graphical display of 3D branching, and flexibility. properties.
Additional desktop 3D products: AccuModel for building accurate 3D molecular structures, 2D to 3D conversion, optimization using the MM3 force field, and structure analysis. BioModel for visualization of biomolecular systems, side-by-side display of 3D structure and sequence, automated recognition of receptor and ligands, and manual docking. PowerFit for manual and automated fitting of two molecules using the Steric and Electrostatic Alignment method. Rigid and flexible fitting.
i vj J orraojiu u JiniDiJ3 478 Green Mountain Road, Mahwah, NJ 07430
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[email protected] Visit our Web Site: http://www.microsimulations.com ISIS is a trademark of MDL Information Systems. Inc. The graphics are used with permission. AccuModel. PowerFit. Chem 123. Property3D, BioPad, BioModel, and PowerDock are trademarks of MicroSimulations.
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