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
QShape is a fingerprint that enables scientists to prioritize compounds for screening, focusing tests where they have the highest probability of success, and to understand the properties of new compounds.
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.
JMP links statistics and graphics. The software integrates visualization into the modeling tools so that users understand the relationships found in their data
MacroModel molecular modeling software includes automatic setup for MCMM calculations in batch mode, serial MCMM calculations and mixed-mode searches with LMOD and LLMOD
The Enterprise edition of Sequence Detection System (SDS) Software is a high-throughput application for storage, organization and analysis of large amounts of gene expression and genotyping data
SYBYL 7.0 is a molecular modeling environment for drug discovery research. The software is available on multiple platforms and includes a Linux operating system upgrade, Red Hat Enterprise Linux 3.0.
Materials Explorer is a multi-purpose molecular dynamics package for Windows. Temperature and pressure-controlled molecular dynamics simulations are available by employing the Parrinello-Rahman and Nose methods. A velocity-scaling method is also available for controlled temperatures.
Origin is an analysis package that offers a suite of data analysis and custom utility development tools
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
acslXtreme OPTIMUM modeling, execution and analysis environment enhances the pharmacokinetic modeling software, giving drug developers and risk assessors parameter estimation
SYSTAT provides statisticians and professional researchers with statistical and graphical capabilities and analytical efficiency
ChemOffice Ultra is software for chemical and biological publishing, workstation-quality molecular modeling, and database work.
MS Modeling is a modeling and simulation software suite, featuring tools for materials property prediction using statistical correlation methods and tools for crystallization modeling.