Scientific Analysis

by CambridgeSoft

Display and perform calculations on multiple chemical structures at a time in Excel. ChemDraw/Excel enables users to use Excel, a familiar data organization tool, to organize and analyze their chemical data. For those looking for compounds or classes of compounds, Filter Tables enable searches for structures and substructures. Similarity Searches search for chemical analogs. The Convert SMILES to Molecule and Convert Name to Molecule features greatly simplify the entry of chemical compounds. This product is ChemDraw Std plus the ChemDraw for Excel feature. ChemDraw/Excel is for Windows only.

(W = Windows Only)

by ChemInnovation

Chemistry 4-D Draw is a next-generation chemistry program combining the most advanced technologies in structure drawing with proprietary modules, NamExpert and Nomenclator, that understands IUPAC nomenclature rules. The program allows you to create high-quality structures simply by entering molecular names.

by Gaussian

Gaussian 09 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. All versions of Gaussian 09 contain every scientific/modeling feature, and none imposes any artifical limitations on calculations other than your computing resources and patience.

by ASTM International

CHETAH® is a tool for predicting both thermochemical properties and certain reactive chemical hazards associated with a pure chemical, a mixture of chemicals, or a chemical reaction. This is accomplished through knowledge of only the molecular structure of the component involved by implementation of Benson's method of group additivity.

by Systat Software

The Automatic Choice For Spectroscopy, Chromatography and Electrophoresis - PeakFit uses three procedures to automatically place hidden peaks; while each is a strong solution, one method may work better with some data sets than the others.

by BioByte

BioByte's new Bio-Loom program weaves several different threads of data into a cohesive whole. Of course, Bio-Loom still calculates hydrophobic and molecular refractivity parameters via CLOGP & CMR, calculations which have been the world standard for decades, but it now has the ability to access BioByte's entire Thor Masterfile database, which includes over 60,000 measured log P and log D values (in many solvent systems), as well as 14,000 pKas, including associated references.

by Spectrum Research, LLC

CHORDS (Coherent HOmonucleaR spin Dynamics Simulation) is the ultilmate software which provides an interactive graphical comparison of Spectral simulation.

by CrystalMaker Software

CrystalMaker is an award-winning program for building, displaying and manipulating all kinds of crystal and molecular structures - with real-time photo-realistic graphics and “out-of-the-screen” 3D display. CrystalMaker provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic colour. Manipulate structures in real time, with the mouse. Multiple View "bookmarks" and undo levels encourage exploration and discovery - ideal for teaching and research.

by Azeotech

DAQFactory provides all the tools needed to acquire data, log it, share it on a network, display it on the screen, graph it, analyze it, and automate your project. All of this can be done quickly without programming, letting you concentrate on your research.

by Data Description

Data Desk is a fast, easy-to-use data analysis package that has been helping people understand their data since 1986. Data Desk provides interactive tools for data analysis and display based on the concepts and philosophy of Exploratory Data Analysis. Data Desk implements many traditional statistics techniques suitable for data from planned experiments and sample surveys.

by Data Description

DataDesk Plus combines Data Desk with ActivStats, the statistics refresh and reference multimedia CD.

by Stat-Ease

Design-Ease is a powerful, entry-level program for design of experiments (DOE). Design-Ease offers features for ease-of-use and functionality that you won't find in general statistical packages. You'll discover a wide variety of designs, the flexibility to modify designs, unique evaluation capabilities, graphics to simplify interpretation, an intuitive interface and a greatly expanded help system. With the powerful optimization features in Design-Ease, you can maximize desirability for dozens of responses simultaneously.

by Stat-Ease

Make breakthrough improvements to a product or a process with Design-Expert software - You can not only screen for vital factors, but also locate ideal process settings for top performance and discover optimal product formulations.

by Engineering Software

Energy Conversion quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species, contains coefficients for the calculation of physical properties.

by Engineering Software

Energy Conversion quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species, steam approximations for both saturated and superheated, analyzes power cycles, power cycle components/processes and compressible flow.

by Fiveash Data Management

These 3750 spectra were collected at a prestigious Forensic laboratory and represent over-the-counter drugs, pharmaceuticals, controlled substances, intermediates, excipients and fillers. FTIR spectra is ideal for Forensic FTIR users and those in need of a database suitable for general reference in academic and industrial FTIR labs.

by Engineering Software

Gas Dynamics quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species, analyzes power cycles, power cycle components/processes and compressible flow.

by Thermo Galactic

GRAMS/AI is a comprehensive data processing and data management software package that can work with data files from multiple techniques including UV, UV/VIS, IR, FT-IR, NIR, NMR, LC, GC, HPLC, DAS, CE, Mass Spec, and Raman. GRAMS/AI’s advanced data processing capabilities and its ability to handle all types of spectral and chromatographic data from virtually any analytical instrument set the industry standard in scientific software.

by John Wiley & Sons

Gardner's Digital Handbook is a platform independent application that allows you to search across the entire reference for the information you need. All the information available in the print edition, as well as 5,300 drug compounds from Drugs: Synonyms and Properties, are included in the digital version.

by Spectrum Research, LLC

IQ-NMR provides an interactive graphical tool for NMR spectroscopists working with a variety of 1D NMR data.

by AgileBio

The LabCal is an iPhone/iPod touch utility to calculate molarities, to convert gram and mole and to determine the dilution of a stock concentration. LabCal is ideal for mid-size to large organizations, labs, and institutes. It allows users to manage reservations for an unlimited number of equipments, rooms or facilities. It even supports recurrent bookings.

by Agaram Instruments

LogiLab is secure database oriented RS232 instrument interfacing, archiving, reporting, custom formatted output software for laboratory instruments.

by Grabitech

MultiSimplex is a Windows-based software for sequential design of experiments and optimization. MultiSimplex is used to improve Quality of products, Efficiency of processes and Performance of analytical instruments.

by Spectrum Research, LLC

Designed to work like a human spectroscopist, NMR-SAMS (NMR-Spectral Assignment Made Simple) is an excellent tool for structure elucidation of completely unknown or partially-known small molecules (having less than 128 Carbons).

by Spectrum Research, LLC

NMR-SCAPE performs spectral simulation and prediction of 13C NMR chemical shifts. This ultimate tool allows the user to sketch molecules, or import structures as *.mol files from 3rd-party Chem-sketch programs.

by Engineering Software

Physical Properties and Steam Approximations quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species and steam approximations for both saturated and superheated areas.

by Engineering Software

Physical Properties quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species.

by DTW Associates

Polymer-Design Tools is a feature packed software, dispensable for polymer design, development, selection, research, teaching and cost optimization. With an easy-to-learn and easy-to-use graphical interface for structure drawing, it can estimate over 60 properties of homopolymers and random copolymers (up to nine monomers), with remarkably good accuracy.

by Thermo Galactic

Spectral ID provides rapid searching of multiple format IR and MS spectral libraries. Spectral ID is a fast and robust 32-bit application with an easy-to-use interface that addresses all your spectral searching needs. With full spectrum search speeds of over 5,000 compounds per second, Spectral ID will save you valuable time. And only Spectral ID supports all the popular commercial libraries including Aldrich, Bio-Rad Sadtler, Chemical Concepts, Nicolet-Aldrich, NIST and Wiley.

by Fiveash Data Management

These 5220 spectra are for GC-IR or TGA-IR analysis with spectra of 4 cm-1 to 8 cm-1 resolution. These data have been individually inspected by experienced spectroscopists to assure high quality. With such a large number of spectra essentially all classes of volatile organic compounds are represented.