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 Application Catalog |
Rational Numbers Assign
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The Rational Numbers program is a tool for presenting possibilities to a scientist in a visual format and for searching molecular structure databases. The Assign function of the Rational Numbers software can also be used to assign fragments to a known or proposed compound.
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Category: Life Sciences
Sub Category: Computational Chemistry
Publisher: MathSpec, Inc.
Date Published: March, 2007
Version:
Pricing:
Runtime: $1/CPU-hr.
What is a CPU-hr.?
A CPU-hr. is the aggregate CPU time spent across all machines, rounded up to the nearest hour (e.g., a task running on 1,000 CPUs for one minute = 1,000 CPU minutes or approximately 17 CPU hours, costing you only $17).
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Key Features
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- The Assign function in the Rational Numbers program makes it easy to pinpoint the location of structural modifications in color-coded molecules
- Searching and assigning fragments is accomplished by comparing the heavy atom compositions of modular structures to the heavy atom distributions of molecular structures found in databases such as PubChem
- Transforms monochrome structures, created in ISIS/Draw or ChemDraw, into color-coded molecular structures with the colors corresponding exactly to the cells of the modular structure
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Description |
Rational Numbers is a software tool for identifying small molecules from accurate-mass fragmentation data. When doing identification work, knowing which atom is found in which fragment is what is really critical. The software does not use fragmentation rules; instead it uses a novel computational approach. Modern computers and accurate-mass fragmentation data have made this new orthogonal approach possible.
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Technical Information |
N/A
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Publisher Information |
MathSpec, Inc.
1314 North Highland Avenue
Arlington Heights, IL 60004
888-840-4994
MathSpec, Inc. email
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Pricing and Payment Information |
License:
Order Information: 888-840-4994 |
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Mailing List Support: N/A
Email Support
Phone Support: 888-840-4994 |
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