NEW SCIENCE, NEW APPLICATIONS ON THE PC USING MSI'S LATEST MATERIALS STUDIO™ RELEASE

10-May-2001

Molecular Simulations Inc. (MSI), a wholly-owned subsidiary of Pharmacopeia Inc. (Nasdaq: PCOP), today announced the release of version 1.2 of Materials Studio, the materials modeling and simulation environment for the PC. This version includes completely new software, called Equilibria, which enables researchers to determine hydrocarbon phase diagrams, especially helpful for materials research in the chemicals and petrochemicals industries. The latest Materials Studio release also features many enhancements to the Reflex and Reflex Plus modules for powder diffraction simulation and analysis. Reflex Plus also includes MSI's well-validated Powder Solve technology. Both Reflex and Reflex Plus were first released in version 1.1 of Materials Studio last year. Equilibria offers a comprehensive set of simulation tools to determine the phase equilibria of hydrocarbons and their binary and ternary mixtures, giving researchers valuable, accurate thermodynamic data. The methodology is based on the Gibbs Ensemble Monte Carlo method, a revolutionary technology to simulate chemical potential equilibrium between two phases. Equilibria will assist materials research and process design in the chemicals and petrochemicals industries the calculation of critical constants without any experimental input, along with many other features. Dr Gerhard Goldbeck-Wood, Director of the MSI's Polymer Consortium said "Equilibria is the first commercial software tool which allows the industrial chemist and chemical engineer to determine phase coexistence data by simulation alone. Its integration into the Materials Studio modeling environment ensures the technology is easy of use and available on the desktop." This latest Materials Studio release also includes enhancements to Reflex and Reflex Plus, unrivalled tools for solving the crystal structures of organic and inorganic compounds. Reflex Plus provides a flexible and easy-to-use approach for crystal structure solution from experimental powder diffraction data, a common but challenging research goal. The core structure solution step is based on MSI's industry-leading Powder Solve algorithm. Version 1.2 of Reflex and Reflex Plus offer significant enhancements, including an asymmetry correction based on fundamental parameters, a new Monte Carlo parallel tempering search algorithm for structure solution, and the ability to determine a preferred orientation correction during the structure search. Dr Marcus Neumann, Product Manager crystallization and Analytical Instruments, explained "With the latest enhancements to Reflex Plus in Materials Studio, structure solution from powder diffraction data has truly become a routine task". On April 4th 2001 at the Spring ACS Meeting in San Diego, Pharmacopeia, Inc., (Nasdaq: PCOP) announced that, from June 1st 2001, its software business would operate as Accelrys. This business was formed by the aggregation of Molecular Simulations Inc. (MSI), Oxford Molecular Ltd., Synopsys Scientific Systems Ltd. and the genetics Computer Group (GCG). A single company now offers comprehensive tools for materials research, life science simulation and modeling, bioinformatics and cheminformatics. Accelrys is committed to invest in new and improved solutions across this range.

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