BioTools announced a collaboration with Schrödinger, Inc. to help chemists expedite the determination of the critical three-dimensional stereo structure. A molecule with a chiral center exists in one of two mirror-image forms which can exhibit different biological properties. Identification of the molecule's stereo-configuration, or handedness, is known as determination of absolute configuration.

It can be achieved via VCD technology, which includes both experimental measurements and theoretically predicted results. BioTools revolutionized determination of absolute configuration through commercialization of VCD instrumentation. For over 21 years, the VCD method has been proven to be a highly reliable, easier, quicker alternative or replacement to traditional X-Ray crystallography.

The VCD technology does not require a single crystal, and only needs a very low quantity of material that can be easily recovered. VCD has been published as a standard method in the U.S. Pharmacopeia, Chapters <782> and <1782>, and approximately 10,000 absolute configurations have now been determined with VCD. Currently, VCD is being used by virtually all major pharmaceutical companies worldwide.

Schrödinger recognizes the importance of the VCD technology for the determination of chirality and remains dedicated to delivering and periodically improving its seamless VCD computational workflow. Combining BioTools experimental results with those of calculations through Schrödinger's workflow based on the fast quantum chemistry engine Jaguar will allow chemists to determine the absolute configuration rapidly and effortlessly.