New Structure and Tautomer Handling Routines Aim to Improve Data Integrity in Drug Discovery
LANCASTER, Calif.–(BUSINESS WIRE)–Simulations Plus, Inc. (Nasdaq: SLP), the leading provider of modeling and simulation solutions for the pharmaceutical, biotechnology, chemicals, and consumer goods industries, today announced that it has entered into a new collaboration agreement with Bayer AG to advance its ADMET Predictor® machine learning software for use within integrated drug discovery workflows. With the drugmaker’s input, Simulations Plus will develop improved structure and tautomer handling capabilities that will support data integrity across the different Bayer discovery platforms.
“We have partnered with Bayer on several scientific projects in the past and are pleased to announce this new collaboration supporting machine learning in drug discovery activities,” said David Miller, Director of ADMET Cheminformatics at Simulations Plus. “With so many packages used in large pharmaceutical R&D organizations, it is important to ensure data integrity and prevent information loss across platforms. This is especially critical in an environment where our tools are used as part of integrated research workflows. The outcome from this collaboration will do just that and lead to improved efficiencies as compound libraries are virtually screened using our top-rated ADMET models.”
John DiBella, Lancaster division president for Simulations Plus, added: “This agreement is a prime example of a funding mechanism targeted to the specific advancement of customized software solutions essential to a client. Bayer will benefit from direct input into our R&D process, with accelerated delivery, while Simulations Plus maintains the right to license the new functionality to all clients. In the end, these enhancements will be part of a fully supported platform and benefit our entire user community.”
About Simulations Plus, Inc.
Simulations Plus, Inc. is a premier developer of drug discovery/development software and a leading provider of both preclinical and clinical pharmacometric consulting services for regulatory submissions and quantitative systems pharmacology models for drug-induced liver injury, drug-induced kidney injury, and nonalcoholic fatty liver disease. Our software is used to conduct drug research by major pharmaceutical, biotechnology, chemical, consumer goods companies, and regulatory agencies worldwide. Our innovations in integrating new and existing science in medicinal chemistry, computational chemistry, pharmaceutical science, biology, and physiology into our software have made us the leading provider for physiologically based pharmacokinetic modeling and simulation. Visit us online www.simulations-plus.com.
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