Simulations Plus Releases ADMET Predictor® Version 10.0 (APX)
September 15 2020 - 8:30AM
Business Wire
New artificial intelligence-driven drug
design functionality offers scientists unrivaled methods for lead
optimization
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 released version 10.0 of
its flagship machine learning modeling platform, ADMET Predictor®,
The new release will be marketed as APX™.
Key enhancements in APX include:
- New AIDD Module for AI-Driven Drug Design using multi-objective
compound optimization integrated with physiologically based
pharmacokinetic (PBPK) models
- New Transporters Module containing machine learning models for
pivotal transporters under regulatory guidance
- Significant improvements to the HTPK Simulation Module driven
by our strategic collaboration with a large pharmaceutical
partner
- Multi-threading capabilities for all prediction processes,
including mechanistic HTPK simulations
- And more…
The new AIDD Module will take one or more lead molecules and
optimize them against any combination of target endpoints,
including our top-rated machine learning ADMET property
predictions, custom activity models, and, through unparalleled
software engineering, mechanistic PBPK simulations. Chemists also
have total control over which part(s) of the lead molecule may be
altered as part of the optimization and which should be maintained,
while also having the flexibility to define the chemistry based on
synthetic feasibility constraints or prior knowledge about the
target. The end product is an innovative approach to rapidly and
accurately evaluate the impact of structural modifications, within
a virtual animal or human model, in advance of synthesis.
“No other company has been able to couple generative chemistry
with best-in-class GastroPlus® PBPK models as we have done with the
AIDD Module,” said Dr. Marvin Waldman, senior research fellow and
chief architect of the new module. “Scientists will now be able to
explore untapped areas of chemical space and evaluate up to
10,000,000 virtual molecules per day using any combination of
property endpoints, including animal and human exposure.”
“This is a significant breakthrough for the platform, but we did
not stop there,” added Dr. David Miller, vice president of ADMET
cheminformatics. “We have also put our best minds to work to
deliver new machine learning models for transporters, which play
critical roles in drug-drug interactions, while adding new
capabilities to the HTPK Simulation Module. Also, for all
prediction processes, we implemented multi-threading capabilities
to boost computing performance five-fold over previous versions of
the platform.”
John DiBella, Lancaster division president, said: “These new
AIDD and Transporters add-on modules, combined with all other
improvements in APX, should help us accelerate the growth momentum
in ADMET Predictor achieved over the past several years. And,
thanks to a strong scientific and technological innovation pipeline
in place with our partners, we will continue to drive advances in
several exciting new areas.”
About Simulations Plus, Inc.
Simulations Plus, Inc., is a leading provider of modeling and
simulation software and consulting services supporting drug
discovery, development research, and regulatory submissions. With
our subsidiaries, Cognigen, DILIsym Services, and Lixoft, we offer
solutions which bridge machine learning, physiologically based
pharmacokinetics, quantitative systems pharmacology/toxicology, and
population PK/PD modeling approaches. Our technology is licensed
and applied by major pharmaceutical, biotechnology, chemical,
consumer goods companies and regulatory agencies worldwide. For
more information, visit our website at
www.simulations-plus.com.
Safe Harbor Statement Under the Private Securities Litigation
Reform Act of 1995 – With the exception of historical
information, the matters discussed in this press release are
forward-looking statements that involve a number of risks and
uncertainties. Words like “believe,” “expect” and “anticipate” mean
that these are our best estimates as of this writing, but that
there can be no assurances that expected or anticipated results or
events will actually take place, so our actual future results could
differ significantly from those statements. Factors that could
cause or contribute to such differences include, but are not
limited to: our ability to maintain our competitive advantages,
acceptance of new software and improved versions of our existing
software by our customers, the general economics of the
pharmaceutical industry, our ability to finance growth, our ability
to continue to attract and retain highly qualified technical staff,
our ability to identify and close acquisitions on terms favorable
to the Company, and a sustainable market. Further information on
our risk factors is contained in our quarterly and annual reports
and filed with the U.S. Securities and Exchange Commission.
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Simulations Plus Investor Relations
Ms. Renee Bouche 661-723-7723 renee@simulations-plus.com
Hayden IR Mr. Cameron Donahue
651-653-1854 slp@haydenir.com
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