Scigress

Scigress is a multi-platform molecular design that is meant for modeling and dynamics software suite designed for experimental chemists.

The suite of molecular builders and visualization tools are designed to enable researches with the ability to build novel structures within minutes. The suite includes calculations of various chemical and physical properties, as well as reaction modeling for different theory levels.

The suite is designed to be user-friendly, and is available with their Amsterdam Modeling Suite, an ADME Database, a DDI Simulator, and a SKIN-CAD simulation software. The Amsterdam Modeling Suite software package is based on the density functional theory which is meant for electronic structure calculations. It can be applied to molecules in the gas phase, and in a solvent of a protein.

The ADME Database is a database containing comprehensive data on interactions of substances with drug metabolizing enzymes and drug transporters. It is designed for the use of drug research and development including drug to drug interactions of absorption, distribution, metabolism, and excretion studies.

The DDI Simulator is designed to quantitatively predict the extent of drug to drug interactions that arise from the co-administration of drugs. It includes a database of drugs, and allows for prediction using in-house compounds as inhibitors or substrates.