Molecule Creation Engine
Novel molecules are generated from drug-like building blocks using a reaction knowledge base that ensures each resulting molecule is unique and, very importantly, can be synthesized. The pool of molecules can be wide, spanning a large variety of chemotypes if medicinal chemists are looking for novel hits for a target, or it can be narrow, generating variations of the same compound design for optimization.
The engine provides medicinal chemists with the ability to generate only those molecules that have desired properties or features, such as solubility or molecular weight or those that contain a certain set of chemical groups.
Verseon uses the molecule creation engine to generate hundreds of millions of novel compounds for each drug program. By comparison, the compound collections of pharmaceutical companies combined are no larger than four to six million distinct compounds.