self-driving labs

New autonomous lab at University of Toronto to improve drug formulation

siddiq22 — Fri, 14 Jul 2023 20:09:01 +0000

New autonomous lab at University of Toronto to improve drug formulation

siddiq22 Fri, 07/14/2023 - 16:09

Cutline

From left: PhD trainee Zeqing Bao, Professor Christine Allen, Allen Lab Director of Research and Partnerships Pauric Bannigan (photo by Steve Southon)

Eileen Hoftyzer

Topic

Breaking Research

Acceleration Consortium

drug development

Institutional Strategic Initiatives

self-driving labs

Artificial Intelligence

Entrepreneneurship

Leslie Dan Faculty of Pharmacy

machine learning

Research & Innovation

Subheadline

Facility at Leslie Dan Faculty of Pharmacy is one of six at U of T being funded by $200-million grant to Acceleration Consortium

A new autonomous lab being built in the University of Toronto's Leslie Dan Faculty of Pharmacy will help to design and optimize formulations that will improve bioavailability, stability and efficacy of a variety of drugs.

Christine Allen, a professor in the faculty whose research focuses on drug development and disease diagnostics, is co-leading the lab with Frank Gu, a professor in the department of chemical engineering and applied chemistry in the Faculty of Applied Science & Engineering.

“I see huge potential for artificial intelligence (AI), machine learning and automation in pharmaceutical sciences, for formulations and beyond,” says Allen, an expert in drug formulations.

“The world is finally understanding the impact of formulation technology and how powerful it is. Now we can marry that technology with AI and machine learning, so we’re kind of unstoppable.”

The new facility is known as a 'self-driving' lab because it uses AI, automation and advanced computing to test different combinations of materials and iteratively develop the best formulations. This approach will allow researchers to evaluate a much larger number of materials, significantly reducing both the cost and time required to identify a new drug formulation.

Allen explains that formulation scientists are often working under tight time constraints to get a product to market by deadline, and the final formulations are the best that can be done with the time available – but are not necessarily the best possible option.

“We’re providing a solution to that – accelerating development while looking for the best formulation,” says Allen, whose team worked in collaboration with Professor Alán Aspuru-Guzik’s research group to develop a prototype of the self-driving lab last year.

The self-driving lab at the Leslie Dan Faculty of Pharmacy is one of six being built at U of T through a $200-million Canada First Research Excellence Fund grant to the Acceleration Consortium, a global network of government, industry and academic researchers accelerating the discovery of materials and molecules needed for a sustainable future.

Researchers say the self-driving lab will help the pharmaceutical industry improve efficiency in drug development and production (photo by Steve Southon)

Allen played a key role in launching the Acceleration Consortium during her time as associate vice-president and vice-provost, strategic initiatives.

As a co-lead on the project, Gu is bringing his expertise in nanotechnology engineering to develop high-quality, precise formulations that use nanotechnology to improve the delivery, bioavailability and efficacy of drugs.

“Nanotechnology engineering has revolutionized the pharmaceutical industry, and its potential applications in a self-driving lab are both imminent and paradigm-shifting,” Gu says.

“By harnessing the power of nanotechnology in a self-driving lab for pharmaceutical formulations, my lab is working with Professor Allen’s team to unlock many advantages that will transform drug development, formulation, modular manufacturing and patient care.”

Allen says that the lab's strong collaboration between pharmaceutical scientists and computer scientists also provides unique educational opportunities for trainees that will provide them with key skills needed for a career in the pharmaceutical industry.

“The trainees are experts in both fields – this is where the future is going, and that to me is the power in all of this. It is true interdisciplinary collaboration,” Allen says. “The trainees are gaining knowledge, expertise and experience, and they are then able to secure exciting positions in industry and be leaders in the field.”

Last year, Allen took a leave of absence from the university to take on a leadership role with adMare Bioinnovations, an organization that helps support Canadian life science companies and researchers. She has now returned to the Leslie Dan Faculty of Pharmacy full-time and brings back a wealth of new experience in entrepreneurship that she plans to apply to her research and the work of the Acceleration Consortium.

To that end, Allen is also chairing the Acceleration Consortium's committee on commercialization and partnerships, and is also developing a graduate course in innovation and entrepreneurship.

With the lab's focus on translational research and commercialization, both Allen and Gu are excited about its potential to generate new formulations that will ultimately improve patient outcomes.

“The self-driving lab is the most cutting-edge technology to help the pharmaceutical industry to drive toward digitization, automation and ultimately improve efficiency in product development and production,” Gu says.

“With its unique capability in bridging automation and iterative discovery process, it is also the key to helping us accelerate the development and production of personalized medicines, which is prohibitively expensive and labour-intensive to be done today.”

U of T receives $200-million grant to support Acceleration Consortium's ‘self-driving labs’ research

Christopher.Sorensen — Fri, 28 Apr 2023 23:17:42 +0000

U of T receives $200-million grant to support Acceleration Consortium's ‘self-driving labs’ research

Christopher.Sorensen Fri, 04/28/2023 - 19:17

Cutline

Funding from the Canada First Research Excellence Fund will support the Acceleration Consortium’s work on “self-driving labs,” which combine AI, robotics and advanced computing to discover new materials (photo by Johnny Guatto)

Tabassum Siddiqui

Topic

Breaking Research

Acceleration Consortium

Institutional Strategic Initiatives

Leah Cowen

Artificial Intelligence

Chemistry

Computer Science

Equity

Faculty of Arts & Science

Meric Gertler

Research & Innovation

Sustainability

Vector Institute

The University of Toronto has been awarded a $200-million grant from the Canada First Research Excellence Fund (CFREF) to revolutionize the speed and impact of scientific discovery through its Acceleration Consortium.

The funding – the largest federal research grant ever awarded to a Canadian university – will support the consortium’s work on “self-driving labs” that combine artificial intelligence, robotics and advanced computing to discover new materials and molecules in a fraction of the usual time and cost. Applications include everything from life-saving medications and biodegradable plastics to low-carbon cement and renewable energy.

Researchers in the consortium recently revealed that they used the technology to develop a potential cancer drug in just 30 days – a process that typically takes years, or even decades.

“The University of Toronto is grateful for this significant investment in artificial intelligence-driven research and innovation, which promises to improve the lives of Canadians and those of people around the world,” said U of T President Meric Gertler.

“The federal government’s critical support of this initiative builds on years of strategic planning and decisions in this space by the University and the federal government, including the 2017 launch of the Pan-Canadian Artificial Intelligence Strategy that helped cement Toronto’s status as a global hub for a revolutionary technology.

“This is the next step in achieving that bold vision.”

François-Philippe Champagne, minister of innovation, science and industry, announced the U of T funding alongside 10 other large-scale projects across the country.

“The initiatives announced today will lead to breakthrough discoveries that will improve people’s lives, nourish our innovation ecosystems, and shape Canada’s prosperity for years to come,” he said in a statement. “Such is the value of Canadian institutions and researchers who think outside the box to tackle the greatest challenges of our time.”

Launched as an Institutional Strategic Initiative in 2021, the Acceleration Consortium brings together partners from academia, government and industry who are accelerating the discovery of materials and molecules needed for a sustainable future. The consortium aims to reduce the time and cost of bringing advanced materials to market, from an average of 20 years and $100 million to as little as one year and $1 million.

“Our goal is to accelerate science,” said Acceleration Consortium Director Alán Aspuru-Guzik, a professor in the departments of chemistry and computer science in the Faculty of Arts & Science who is a Canada CIFAR AI Chair at the Vector Institute for Artificial Intelligence. “To do that, we realized we need to take a cue from self-driving cars and extended that concept to a self-driving lab, which uses AI and automation to carry out more experiments in a smarter way.

“We’ve essentially supercharged the process of scientific discovery.”

The CFREF funding, along with additional support from U of T – which includes an investment of $130 million to expand facilities to house the Acceleration Consortium’s state-of-the-art labs at the Lash Miller Chemical Laboratories building on the St. George campus – will help secure the researchers, spaces and partnerships needed to build a world-leading centre for accelerated materials discovery and innovation.

The funding will also help the consortium rapidly create high quality datasets to better train AI models and validate the model’s predictions in real time. That, in turn, will dramatically accelerate the discovery and development of molecules and materials for a wide range of industries.

With a strong plan of equity, diversity and inclusion guiding project implementation and research design, the initiative will commercialize ethically designed technologies and materials to benefit society and train today’s scientists with the skills they need to advance the emerging field of accelerated materials discovery. It will also allow the consortium to examine critical issues regarding the application of the technology, including from environmental and Indigenous perspectives.

“With this funding – which enabled us to obtain matching commitments of about $300 million from all our partners – we are talking about half a billion dollars of investments, said Aspuru-Guzik, who joined U of T from Harvard University in 2018 as a Canada 150 Research Chair in Theoretical and Quantum Chemistry and is one of a growing number of global experts at the Acceleration Consortium.

“This will help us make the Greater Toronto Area and Canada world leaders in AI-frontier discovery – we have no excuse not to be after this project.”

The Acceleration Consortium comprises nearly 100 researchers – and is hiring many more – across a wide variety of disciplines, including AI, computer science, mathematics, chemistry, economics, engineering, materials science, mechatronics, biology, pharmacology, robotics, technoscience and more. It also includes 30 partners from the private and public sector, including the University of British Columbia, a lead partner on the grant.

“What’s unique about this model is that it’s kind of this idea of a university without borders,” said Jason Hein, a member of the Acceleration Consortium's scientific leadership team and an associate professor in the chemistry department in the Faculty of Science at UBC.

“What happens a lot in Canadian research culture is that we’re good at punching above our weight class, but, in the past, other countries have had bigger budgets. What’s great about this is that through the energy of the people at Acceleration Consortium, we’re saying, ‘We’re doing something huge here.’ And to get the vote of confidence back saying, ‘Yes, we believe in you and let’s go forward’ is really important.”

CFREF aims to boost the strengths of Canadian postsecondary institutions so that they can achieve global success in research areas that create long-term social and economic advantages for Canada. It invests approximately $200 million per year (or approximately $1.4 billion over a competition cycle of seven years) through a highly competitive peer review process.

“We named this a consortium and not an institute for a reason,” Aspuru-Guzik said. “We are a global effort with its homebase in Toronto that involves academia, government and industry.

“A core goal of our efforts is to spin out the next generation of companies that will develop the materials for the 21st century here in Canada. This, in turn, will help make the GTA the economic epicentre for this field.”

Leah Cowen, U of T’s vice-president, research and innovation, and strategic initiatives, said the impact of the CFREF grant will be felt far beyond Acceleration Consortium itself.

“This level of investment can really transform how universities do innovation,” she said. “It allows us to not only drive forward discovery, but also improve adoption by Canadian companies and foster an ethical approach to technology development that’s guided by principles of equity, diversity and inclusion, benefiting all segments of society.”

With files from Erin Warner

Experts say $200-million grant awarded to U of T will drive ‘big science’ via the Acceleration Consortium

Christopher.Sorensen — Fri, 28 Apr 2023 20:19:03 +0000

Experts say $200-million grant awarded to U of T will drive ‘big science’ via the Acceleration Consortium

Christopher.Sorensen Fri, 04/28/2023 - 16:19

Cutline

A researcher removes a vial of pre-dispensed reagent from an automated solid dispensing robot (photo by James Morley © The Matter Lab / Acceleration Consortium, University of Toronto)

Tabassum Siddiqui

Topic

Our Community

Acceleration Consortium

Institutional Strategic Initiatives

Leah Cowen

self-driving labs

Temerty Faculty of Medicine

Chemistry

Computer Science

Creative Destruction Lab

Faculty of Arts & Science

History

Research & Innovation

Rotman School of Management

University Health Network

University of Toronto Mississauga

Vector Institute

Women and Gender Studies

The $200-million Canada First Research Excellence Fund (CFREF) grant awarded to the University of Toronto’s Acceleration Consortium will help build a world-leading centre for accelerated materials discovery and innovation.

The funding will support the consortium’s work on “self-driving labs” that realize the game-changing potential of AI by combining it with robotics and advanced computing to discover new materials and molecules in a fraction of the usual time and cost – from life-saving medications and biodegradable plastics to low-carbon cement and renewable energy.

With equity, diversity and inclusion guiding project implementation and research design, the Acceleration Consortium – a U of T institutional strategic initiative – will use the funding to commercialize ethically designed technologies and materials to benefit society and train today’s scientists with the skills they need to advance the emerging field of accelerated materials discovery. It will also examine critical issues regarding the application of the technology, including from environmental and Indigenous perspectives.

“We realized we need to take a cue from self-driving cars and extended that concept to a self-driving lab, which uses AI and automation to carry out more experiments in a smarter way,” says Acceleration Consortium Director Alán Aspuru-Guzik, a professor in the departments of chemistry and computer science in the Faculty of Arts & Science who is a Canada CIFAR AI Chair at the Vector Institute for Artificial Intelligence.

In particular, the funding will help the consortium rapidly create high-quality datasets to better train AI models and help validate the model’s predictions in real time.

Leaders and researchers from U of T and Acceleration Consortium spoke with U of T News about the impact the CFREF funding – the largest federal research grant ever awarded to a Canadian university – will have on the consortium’s game-changing work and unique model of cross-sector collaboration.

Leah Cowen

U of T’s vice-president, research and innovation, and strategic initiatives

Materials and molecules are central to solving many of the world's pressing challenges, such as climate change, plastics, pollution and cancer. But it typically takes a very long time to develop new materials with new properties that can address those big problems.

By contrast, Acceleration Consortium’s approach combines AI, robotics and advanced computing to radically reduce the time and cost of bringing materials to market. Their autonomous labs predict, synthesize and test materials for key characteristics and can repeat and refine the process, which dramatically accelerates the timeline.

This transformative capability has the potential to affect so many different parts of our lives and our planet. So, the consortium’s focus on equity, diversity and inclusion in program delivery and research design, as well as its emphasis on environmental and Indigenous perspectives, is crucial. The CFREF grant allows us to do big science – through an interdisciplinary team-based approach with an incredible scope and potential for impact – in a way that’s critical for Canada to remain competitive on the international stage.

Melanie Woodin

Dean, Faculty of Arts & Science; professor, department of cell and systems biology

The Acceleration Consortium is already having an impact. Its second annual Accelerate Conference this summer will showcase the latest methods, applications and research in accelerated materials and molecular discovery. But this funding will enable even greater breakthroughs. It will have a transformative impact on our researchers' ability to develop the cost-effective, high-performance, sustainable materials that are needed to solve the world’s most pressing challenges.

Alán Aspuru-Guzik

Director, Acceleration Consortium; professor, departments of chemistry and computer science in the Faculty of Arts & Science; Canada 150 Research Chair in Theoretical and Quantum Chemistry; CIFAR AI Chair at the Vector Institute for Artificial Intelligence

Our goal is to accelerate science – that’s where our name comes from. To do that, we realized we need to take a cue from self-driving cars and extended that concept to a self-driving lab, which uses AI and automation to carry out more experiments in a smarter way. We’ve essentially supercharged the process of scientific discovery – and this grant will help us to take that even further.

We are already emerging leaders in the world of research excellence and we have a plan to keep building on that excellence. We’ve also shown that we’re integrated with communities – including working closely with Indigenous communities – and have innovative plans to teach this technology to future generations.

Acceleration Consortium Researchers

Cheryl Arrowsmith

Senior scientist at the Princess Margaret Cancer Centre, University Health Network; professor of medical biophysics at the Temerty Faculty of Medicine; director of the Toronto node of the Structural Genomics Consortium

The CFREF funds will advance our self-driving lab (SDL) to tackle the early stages of drug discovery by taking an initial compound and developing it into a more drug-like molecule that modulates a protein of interest in a disease. This is a design-make-test cycle that is currently done in a very iterative, slow manner. The Acceleration Consortium approach can speed the process up to try to get to the biologically active reagent much more quickly.

It has broad implications in a whole number of areas. Our SDL will complement another self-driving lab that is making engineered tissues that mimic human tissue or a disease state like a tumour – allowing one to test drugs or early-stage compounds in disease-relevant assays.

The self-driving lab concept condenses the time it takes to get to the answer you need – and does so more efficiently.

Avi Goldfarb

Professor of marketing at the Rotman School of Management and Rotman Chair in Artificial Intelligence and Healthcare; chief data scientist at Creative Destruction Lab

This grant will allow us the freedom to invest in long-term planning for more – and more ambitious – projects. You learn more when you talk to people who have expertise that's different from your own. And the consortium has been an opportunity for me to learn from a different set of people with different knowledge than I’m typically exposed to as an economist in the business school.

It allows us to work with people to make new kinds of connections – and, hopefully over the course of the grant, develop entirely new, exciting ideas.

Michelle Murphy

Professor in the department of history and the Women and Gender Studies Institute in the Faculty of Arts & Science; co-director of the Indigenous-led Environmental Data Justice Lab at the Technoscience Research Unit; Canada Research Chair in Science and Technology Studies and Environmental Data Justice

No one person has all the skills to address the sustainability of new substances – we truly need much greater collaboration and a willingness to really think across difference. Insisting on Indigenous collaboration in defining sustainable substances is what marks the innovation of this work.

This is a moment of the emergence of a new branch of chemistry – and, at the same time, its industrial application has been implicated in major environmental problems we’re facing. Part of what is appealing about this project is that it’s putting questions of sustainability and environmental justice as one of its crucial dimensions – and the decision to invest in Indigenous science and technology studies as part of science at U of T is vital.

Florian Shkurti

Assistant professor in the department of mathematical and computational sciences, U of T Mississauga; UTM Robotics faculty adviser; director of the Robot Vision and Learning Lab; and Vector Institute faculty affiliate

What is unique about the AC is that over the last five years it has built a tightly knit and vibrant community that includes academic and industry researchers, as well as a global team of active and supportive partners in government, industry and entrepreneurial circles. Despite the seemingly disparate areas of expertise, they all work towards a common goal: to accelerate the science of advanced materials discovery in order to benefit society and our planet at large.

Together with my collaborators, Professors Alán Aspuru-Guzik and Animesh Garg, we are working on enabling general-purpose robots to perform as well as chemists in a typical chemistry lab. Having additional funding from the CFREF will help us to pursue more research efforts in enabling robots to visually perceive and autonomously manipulate granular materials, powders, liquids and transparent objects, which traditionally have been extremely challenging. It opens up so many opportunities for robots to be helpful in chemistry labs and work alongside human chemists to augment their capabilities.

Ilya Yakavets

Bioengineering post-doctoral researcher in the Kumacheva Group

The CFREF grant is a game-changer for researchers like me at the Acceleration Consortium.

It's not just about the funding, but also about the opportunities it creates. Collaborating with the consortium has been incredibly valuable for my research project – working to create a microchip that can simulate the growth of cancer cells and test different drug combinations to see which are the most effective, using artificial intelligence.

I'm fortunate to be collaborating with Alán Aspuru-Guzik and the Acceleration Consortium to accelerate the translation of promising multidrug anticancer therapies from the laboratory to clinics. It has been an excellent opportunity to learn from and work with a team of experts who share a common goal.

Laura Matz

Chief science and technology officer, Merck KGaA, Darmstadt, Germany

Breakthroughs in AI-driven experimentation will revolutionize the process of discovering new molecules and materials for health care, life sciences and electronics. We see the Acceleration Consortium as uniquely positioned to bring the ecosystem together to drive cutting-edge

advancement in the field of accelerated materials and drug discovery through self-driving labs.

Because of this, we have become a founding member of the Acceleration Consortium. Through this collaboration, we look forward to developing and defining best practices in the area of AI algorithms and automation for materials and molecule discovery.

With files from Erin Warner

self-driving labs

New autonomous lab at University of Toronto to improve drug formulation

U of T receives $200-million grant to support Acceleration Consortium's ‘self-driving labs’ research

Read more about how the CFREF grant will impact research at U of T

Experts say $200-million grant awarded to U of T will drive ‘big science’ via the Acceleration Consortium

Leah Cowen

Melanie Woodin

Alán Aspuru-Guzik

Acceleration Consortium Researchers

Cheryl Arrowsmith

Avi Goldfarb

Michelle Murphy

Florian Shkurti

Ilya Yakavets

Laura Matz

Read more about the funding announcement