Products

The Amsterdam Density Functional (ADF) package is software for first-principles electronic structure calculations. ADF is used by academic and industrial researchers in such diverse fields as pharmacochemistry and materials science. It is particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and biochemistry. More...

ADME DB is a database containing the latest and most comprehensive data on interactions of substances with Drug Metabolizing Enzymes and Drug Transporters. It is designed for use in drug research and development, including drug-drug interactions and ADME (Absorption, Distribution, Metabolism and Excretion) studies. The information is organized by category (therapeutic area), drug name, enzyme, reaction, and type. ADME DB is supported by chemical/metabolite structures as well as kinetic values found in the literature. The database is available online and completely searchable by keywords or chemical structures. Advanced searches are also available to support investigational studies on drug-drug interactions. More...

ADMEWORKS ModelBuilder is a tool dedicated for building QSAR/QSPR models that can later be used for predicting various chemical and biological properties of compounds. A set of data on molecular structures and their respective experimental values of the property of interest is a prerequisite for every model building. Two classes of models (Qualitative and Quantitative) can be built using various algorithms. More...

ADMEWORKS Predictor is a high-speed virtual (in silico) screening system intended for simultaneous evaluation of the ADMET properties of compounds. It complements existing In Silico technologies for evaluating pharmacological properties. Simultaneous evaluation of the pharmacological as well as the ADMET properties of compounds is useful in the discovery phase to produce balanced quality hits, and also in the lead optimization phase to lessen the occurrence of faulty leads. More...

BioAdviser for Windows is a software application that brings high-quality, super-fast molecular rendering. Targeting the display, analysis and manipulation of large biological molecules including proteins and nucleic acids, it also delivers superb tools for analysis of smaller molecules. More...

See Scigress Explorer.

CambridgeSoft Corporation is a leading supplier of discovery, collaboration, and knowledge enterprise solutions, desktop software, scientific databases and consulting services to the pharmaceutical, biotechnology, and chemical industries. The Company provides enterprise solutions, desktop software, scientific databases, and professional services for biotechnology, drug discovery and chemical research, including software, databases, and web sites which enable customers to create, analyze and communicate chemical, biological, and scientific information more effectively. More...

Cell Illustrator is a powerful tool that enables biologists to draw, model, elucidate and simulate complex biological processes and systems. It has outstanding drawing capabilities, moreover it allows researchers to model metabolic pathways, signal transduction cascades, gene regulatory networks as well as dynamic interactions of various biological entities such as genomic DNA, mRNA and proteins. More...

The electronic laboratory notebook is a must for everyone who works with structures, data and files. With its comfortable user interface, ensochemLab replaces the paperbound laboratory notebook by a complete configurable, secure system that manages the information flow in the company. The modular structure (server and client) plus the possibility of integrating existing chemistry software and chemistry databases (InfoChem, MDL ISIS/Host, Accord for Oracle and more), show this system's flexibility. More...

GhostMiner is unique data mining software that not only supports common databases (or spreadsheets) and mature machine learning algorithms, but also assists with data preparation and selection, model validation, multimodels like committees or k-classifiers, and visualization. More...

Materials Explorer is a multi-purpose molecular dynamics (MD) software package. Intuitive graphical interface and sets of wizards make it simple to build assemblies of molecules in a cell, to set up calculations, and to interpret results. Materials Explorer can be applied to systems including metals and inorganics, such as ceramics and semi-conductors. It is also well suited for organics and biomolecules. Materials Explorer has a Potential Library that includes potential functions and parameters for a wide range of atom-atom interactions. More...

MO-G (former MOPAC) - general-purpose semi-empirical molecular orbital package for the study of solid state, solution and gas phase molecular structures and reactions. Quantum methods are used to compute structure and properties such as molecular orbitals, vibrational spectra, thermodynamic quantities, isotopic substitution effects, radicals, ions, peptides and polymers. MO-G is also used to generate descriptors for quantitative structure-property (or activity) relationships and to predict a wide variety of biological and other properties including carcinogenicity, vapor pressure, water solubility, and reaction rates. More...

See MO-G.

Knowledge sharing is one of the key success factors in modern research and development projects. Only proper documentation of experiments provides a solid basis for this knowledge sharing. In addition, documentation is a pre-requisite for protecting intellectual property rights. quattro/LJ provides an efficient way to organize daily documentation work. quattro/LJ stores text, OLE-objects, graphics, chemistry and reactions. quattro/LJ supports full text indices, chemical substructure searches, templates and an advanced printing engine. All lab journal entries can be revised to fulfill internal quality assurance audits. More...

Scigress Explorer (previously CAChe) is a leading computer-aided chemistry modeling package designed for computational chemists as well as experimental chemists conducting research in life sciences, materials and chemicals and undergraduate and graduate educators. Scigress Explorer lets every chemist visualize molecules in 3D, search for conformations, analyze chemical reactivity, and predict properties of compounds with an easy-to-use interface on desktop computers. More...

SCIGRESS is a unique desktop molecular modeling software package that can apply a wide range of computational models to all types of molecular systems, from small organic molecules, to inorganics, polymers, materials systems and whole proteins. SCIGRESS speeds time-to-discovery by providing powerful computing and analytical tools designed for experimental scientists. More...