Exploring REAL Space Directly From StarDrop

Optibrium™, BioSolveIT™ and Enamine™, providers
of software and services for drug discovery, have announced a three-way
collaboration enabling efficient search of Enamine’s REAL Space directly from
within Optibrium’s StarDrop™ software. This extension to StarDrop is powered by
BioSolveIT’s proprietary Feature Trees (FTrees) technology, to search a
gigantic chemical space of over 11 billion readily accessible compounds and
identify novel compounds that are similar to a query structure of interest. The
resulting chemical structures and data are pre-formatted and ready to evaluate
using StarDrop’s comprehensive suite of integrated software for small molecule
design, optimization and data analysis.

REAL Space, developed by Enamine, is a
chemical space currently containing over 11 billion compounds that can be
quickly synthesized with a high success rate. StarDrop’s new add-on REAL Space
Search tool will allow researchers to, for example, investigate the chemical
space local to their selected compound, find structurally novel leads with
improved properties or avoid patent-protected space. The new extension deploys
BioSolveIT’s FTrees technology to rapidly explore the vast space for high
quality drug candidates using pharmacophore- and topology-style similarity
searching, analogous to REAL Space Navigator, a tool previously developed by
BioSolveIT and Enamine.

Dr Matthew Segall, Optibrium’s CEO, said:
“The identification of new and promising lead molecules is a highly challenging
process and the need for fast access to novel compounds is essential to support
the development of chemistry and drug discovery projects. We are delighted to
offer this link with REAL Space as a further extension to StarDrop, enabling
researchers to quickly find high-quality compounds for their drug discovery
projects, improving both productivity and timelines.”