COLUMBUS, Ohio & WARSAW, Poland - Friday, 11. August 2023
The
two organizations are joining forces to develop pioneering AI-based
solutions for efficient chemical synthesis planning to accelerate the
development of novel pharmaceuticals.
(BUSINESS WIRE) -- CAS,
a division of the American Chemical Society specializing in scientific
information solutions, and Molecule.one, a tech-bio leader in AI-based
solutions for pharmaceutical chemistry, have established a strategic
collaboration focused on the joint development of computer-aided
synthesis design technologies to accelerate scientific breakthroughs in
early-stage drug discovery and aid chemists in the discovery of novel
small molecules.
Leveraging their existing technologies and
expertise, including Molecule.one’s proprietary generative deep learning
models and synthesis planning platform with chemist-first UI, and CAS’
world-class chemical reactions content collection and deep industry
knowledge, the two organizations will work together to enhance and
develop solutions for efficient and innovative chemical synthesis
planning. Beyond their complementary capabilities, the organizations’
collaboration is fueled by their shared goal to empower scientists and
accelerate breakthroughs.
“We are thrilled to bring to market the
first generative models for chemistry trained on CAS’ content, as CAS’
strategic partner for synthetic accessibility and retrosynthesis deep
learning enhancements,” says Piotr Byrski, Molecule.one’s co-founder and
CEO. “Generative AI has demonstrated amazing feats across multiple
fields when trained on large datasets and I believe that there’s a clear
need for bringing this to drug discovery. I’m very proud of both CAS
& Molecule.one teams, who have worked diligently over the past year
to identify how we can bring together Molecule.one’s unique technology
and expertise in AI and CAS’ comprehensive chemical dataset. I am
excited that in the upcoming months and years, we will witness the
outcomes of this collaboration and the significant impact it will have
on the pharmaceutical industry.”
The first joint offering, M1
RetroScore powered by CAS, will be part of the Molecule.one product
suite and will replace their current synthetic accessibility scoring
tool, RetroSAS. Leveraging the recent advances in generative model
development by Molecule.one’s team, the solution uses machine learning
models trained on the CAS best-in-class chemical reactions content to
predict the likelihood of synthesis for novel molecules. M1 RetroScore
powered by CAS provides all users with synthetic accessibility scores
along with the corresponding potential top synthesis pathways for given
targets. For users of CAS SciFindern, the tool will connect with
reference reactions within the CAS SciFindern platform. M1 RetroScore
powered by CAS is the first commercially available synthetic
accessibility scoring tool trained on CAS content.
Molecule.one
and CAS are also collaborating to enhance the world-class retrosynthesis
capabilities already available in CAS SciFindern. As part of their
continued dedication to improving their solutions, CAS will incorporate
Molecule.one’s deep learning models to improve its synthesis predictions
and aid scientists in exploring potential synthetic routes for small
molecules, thus accelerating scientific breakthroughs.
“Chemical
reactions and retrosynthesis capabilities from CAS are unparalleled,”
says Tim Wahlberg, Chief Product Officer for CAS. “By collaborating with
Molecule.one, we will bring a unique combination of capabilities to the
market to solve challenges in synthesis planning – both early-stage
screening for synthesizability as well as laboratory and scale-up
synthesis design. These solutions will continue to reduce time spent in
the discovery process for scientists, empowering them with efficiencies
throughout their innovation journey.”
M1 RetroScore powered by
CAS will officially launch on August 14 and will be presented at
Molecule.one’s booth #364 at ACS Fall 2023 from August 14-16 in San
Francisco. Learn more at www.molecule.one/retroscore.
About CAS
CAS
is a leader in scientific information solutions, partnering with
innovators around the world to accelerate scientific breakthroughs. CAS
employs over 1,400 experts who curate, connect, and analyze scientific
knowledge to reveal unseen connections. For over 100 years, scientists,
patent professionals, and business leaders have relied on CAS solutions
and expertise to provide the hindsight, insight, and foresight they need
so they can build upon the learnings of the past to discover a better
future. CAS is a division of the American Chemical Society. Connect with
us at cas.org.
About Molecule.one
Molecule.one (M1) is a
seed-stage tech-bio company developing cutting-edge AI-enabled chemical
synthesis planning solutions to support early-stage drug discovery
pipelines. M1’s interdisciplinary team of machine learning experts,
software engineers and chemists, collaboratively develops solutions for
analysis of synthetic accessibility, chemical reaction prediction, and
reaction condition recommendations, leveraging advances in AI and
proprietary data from Molecule.one’s own high-throughput laboratory.
Their products are designed for chemists, by chemists. Molecule.one
brought the first commercially available deep learning retrosynthesis
planning solution to market in 2019 and has raised over $5 million USD
to date.
Learn more at www.molecule.one.
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Contacts
CAS – Zornitsa Ivanova, mob. +1 312-806-3983, email: zivanova@cas.org
Molecule.one – Alicja Górka-Pruszczak, mob. +48 690 194 094, email: alicja.gorka@big-picture.pl
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