MacroModel molecular modeling software features a large selection of force fields and advanced methods for conformational analysis, molecular dynamics, and free energy calculations.
DecisionSite for Lead Discovery is a guided analytic application configured to provide easy access to standard internal and external data repositories.
FlexPDE is a scripted finite element model builder and numerical solver. From a script written by the user, the software performs the operations necessary to turn
Molecular Operating Environment (MOE) provides a suite of applications for manipulating and analyzing large collections of compounds. It is a fully integrated suite of computational chemistry, molecular modeling and informatics software for life science applications.
Origin is an analysis package that offers a suite of data analysis and custom utility development tools
acslXtreme OPTIMUM modeling, execution and analysis environment enhances the pharmacokinetic modeling software, giving drug developers and risk assessors parameter estimation
ChemOffice Ultra is software for chemical and biological publishing, workstation-quality molecular modeling, and database work.
The MOE Molecular Operating Environment features a range of computational applications, including tools for bioinformatics, cheminformatics, high-throughput discovery, protein modeling and structure-based design
KnowItAll's ChemWindow Edition is chemistry publishing software designed for chemists who need to draw chemical structures and publish professional reports with structures, spectra, chromatograms, chemical reactions, lab experiment setups, chemical engineering diagrams and data tables.
Discovery Studio MedChem Explorer is a pharmacophore modeling and design application that enables chemists to design active compounds for prescreening synthesis candidates using an in silico approach
MS Modeling is a modeling and simulation software suite, featuring tools for materials property prediction using statistical correlation methods and tools for crystallization modeling.
SpecManager is an overall spectroscopic processing and analytical data management system that includes a flexible module for visualizing and supporting hyphenated data
AMIX NMR post-processing analysis tools add statistical processing routines that remove bottlenecks in high-throughput applications such as metabonomics
SQL*LIMS automates sample tracking, laboratory processes and workflow, data access and storage, and regulatory compliance
KnowItAll Informatics System includes an ADME/Tox Consensus Modeling Environment to optimize the combined results of multiple in silico ADME/Tox models