CAS and Molecule.one Announce a Strategic Collaboration to Accelerate Drug Discovery
11.8.2023 16:07:00 EEST | Business Wire | Press release
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.
This press release features multimedia. View the full release here: https://www.businesswire.com/news/home/20230811660528/en/
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.
To view this piece of content from cts.businesswire.com, please give your consent at the top of this page.
View source version on businesswire.com: https://www.businesswire.com/news/home/20230811660528/en/
Contact information
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
About Business Wire
For more than 50 years, Business Wire has been the global leader in press release distribution and regulatory disclosure.
Subscribe to releases from Business Wire
Subscribe to all the latest releases from Business Wire by registering your e-mail address below. You can unsubscribe at any time.
Latest releases from Business Wire
monday.com Appoints Ben Barnett General Manager of EMEA to Drive Next Phase of Regional Growth9.6.2026 11:00:00 EEST | Press release
monday.com (Nasdaq: MNDY), the AI work platform that turns strategy into execution at scale, today announced Ben Barnett’s appointment to General Manager (GM) of Europe, the Middle East and Africa, marking a major milestone in the company’s global expansion. Ben, who has been with monday.com for five years, brings a decade of experience in senior B2B sales roles at software companies and has overseen significant, sustained growth at monday.com in the UK and Ireland since joining in 2021. In his new position, Ben’s priorities include delivering the monday.com’s EMEA go-to-market strategy, fostering key partnerships, and bolstering its newly announced AI work platform. He is based in London. Ben’s promotion comes as monday.com builds on a period of rapid regional success, with EMEA revenue up 26% year-on-year in 2025. Last year, monday.com expanded its regional EMEA headquarters in Fitzrovia, London, now occupying 80,000 sq ft across three floors where more than 370 employees are based,
Interactive Brokers Launches Commission-Free iShares ETFs from BlackRock through Recurring Investment Feature Across Europe9.6.2026 11:00:00 EEST | Press release
Interactive Brokers (Nasdaq: IBKR), an automated global broker, today announced the launch of Commission-Free ETFs within its Recurring Investment feature for eligible individual investors across the European Economic Area. Investors can now access more than 500 commission-free iShares ETFs from BlackRock spanning a broad range of asset classes and strategies, including bonds, equities, themes and sectors. The iShares ETFs available on the IBKR platform give individual investors an accessible, cost-efficient way to build well-diversified portfolios. Since investors pay no trading commissions, more of their capital stays invested and compounding over time, while a broad selection of funds across asset classes makes it straightforward to construct and rebalance portfolios. iShares ETFs are available commission-free through IBKR's Recurring Investments feature, allowing investors to automate their periodic ETF contributions. Clients can select individual ETFs or ETF portfolios, set a cont
Forrester Reveals The Top 10 Highest-Performing Brands In Its 2026 Global Total Experience Score Rankings At Its CX Events9.6.2026 10:30:00 EEST | Press release
According to Forrester’s (Nasdaq: FORR) 2026 global Total Experience Score rankings of 375 brands evaluated across Asia Pacific, Europe, and North America in 2025 and 2026, 41% improved their scores while only 3% declined. A compelling total experience — calculated by combining Forrester’s Customer Experience Index (CX Index™), Brand Experience Index (BX Index™), and, for the first time, the new Employee Experience Index (EX Index™) into a unified view of performance — can drive outsized growth for brands. While brand experience and customer experience can each drive revenue independently, the impact multiplies when they are orchestrated together as a unified total experience. In the US, for example, companies delivering a strong total experience see significantly higher returns from retention and enrichment: Automotive firms achieve a 2.6x revenue lift and retailers see a 3.8x increase. The new research finds that CX scores improved in North America, European brands remained mostly st
IQM Announces Novel Quantum Error Correction Approach Toward Fault-Tolerant Quantum Computing9.6.2026 10:00:00 EEST | Press release
IQM Quantum Computers, the global leader in superconducting quantum computers, has developed a novel quantum error-correcting code that achieves up to three orders of magnitude lower logical error rates than the surface code, also requiring up to eight times fewer physical qubits. This press release features multimedia. View the full release here: https://www.businesswire.com/news/home/20260609533201/en/ IQM´s breakthrough technology, called barbell codes. Unlike many alternative high-performance quantum error-correction approaches, the new code also maintains a comparatively low hardware complexity, marking a significant advancement toward scalable fault-tolerant quantum computing. Quantum error correction remains one of the defining challenges in the race toward practical quantum computing. Errors introduced by noise must be corrected faster than they accumulate, a requirement that previous approaches demanded either complex hardware or significant performance trade-offs, which IQM's
Longpoint Expands into Germany and the Netherlands, Targeting €400 Million of Infill Logistics Investment9.6.2026 10:00:00 EEST | Press release
Longpoint Partners today announced its expansion into Germany and the Netherlands, extending its infill industrial strategy into two of Europe’s most supply-constrained logistics markets. The firm is establishing a presence in high-demand locations, including Düsseldorf, Frankfurt, and the Randstad, and plans to deploy approximately €400 million into logistics assets near major population centers and transportation corridors. “We are excited to expand Longpoint’s infill industrial strategy into Germany and the Netherlands,” said Dwight Angelini, Founding and Managing Partner of Longpoint Partners. “These are highly attractive logistics markets with strong fundamentals, limited supply, and a clear need for high-quality light industrial and logistics space. With Gijs and Benedict leading our local efforts, we have the market knowledge, relationships, and discipline to identify attractive opportunities and execute with conviction.” The expansion extends Longpoint’s focus on infill logisti
In our pressroom you can read all our latest releases, find our press contacts, images, documents and other relevant information about us.
Visit our pressroom