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#437261 How AI Will Make Drug Discovery ...
If you had to guess how long it takes for a drug to go from an idea to your pharmacy, what would you guess? Three years? Five years? How about the cost? $30 million? $100 million?
Well, here’s the sobering truth: 90 percent of all drug possibilities fail. The few that do succeed take an average of 10 years to reach the market and cost anywhere from $2.5 billion to $12 billion to get there.
But what if we could generate novel molecules to target any disease, overnight, ready for clinical trials? Imagine leveraging machine learning to accomplish with 50 people what the pharmaceutical industry can barely do with an army of 5,000.
Welcome to the future of AI and low-cost, ultra-fast, and personalized drug discovery. Let’s dive in.
GANs & Drugs
Around 2012, computer scientist-turned-biophysicist Alex Zhavoronkov started to notice that artificial intelligence was getting increasingly good at image, voice, and text recognition. He knew that all three tasks shared a critical commonality. In each, massive datasets were available, making it easy to train up an AI.
But similar datasets were present in pharmacology. So, back in 2014, Zhavoronkov started wondering if he could use these datasets and AI to significantly speed up the drug discovery process. He’d heard about a new technique in artificial intelligence known as generative adversarial networks (or GANs). By pitting two neural nets against one another (adversarial), the system can start with minimal instructions and produce novel outcomes (generative). At the time, researchers had been using GANs to do things like design new objects or create one-of-a-kind, fake human faces, but Zhavoronkov wanted to apply them to pharmacology.
He figured GANs would allow researchers to verbally describe drug attributes: “The compound should inhibit protein X at concentration Y with minimal side effects in humans,” and then the AI could construct the molecule from scratch. To turn his idea into reality, Zhavoronkov set up Insilico Medicine on the campus of Johns Hopkins University in Baltimore, Maryland, and rolled up his sleeves.
Instead of beginning their process in some exotic locale, Insilico’s “drug discovery engine” sifts millions of data samples to determine the signature biological characteristics of specific diseases. The engine then identifies the most promising treatment targets and—using GANs—generates molecules (that is, baby drugs) perfectly suited for them. “The result is an explosion in potential drug targets and a much more efficient testing process,” says Zhavoronkov. “AI allows us to do with fifty people what a typical drug company does with five thousand.”
The results have turned what was once a decade-long war into a month-long skirmish.
In late 2018, for example, Insilico was generating novel molecules in fewer than 46 days, and this included not just the initial discovery, but also the synthesis of the drug and its experimental validation in computer simulations.
Right now, they’re using the system to hunt down new drugs for cancer, aging, fibrosis, Parkinson’s, Alzheimer’s, ALS, diabetes, and many others. The first drug to result from this work, a treatment for hair loss, is slated to start Phase I trials by the end of 2020.
They’re also in the early stages of using AI to predict the outcomes of clinical trials in advance of the trial. If successful, this technique will enable researchers to strip a bundle of time and money out of the traditional testing process.
Protein Folding
Beyond inventing new drugs, AI is also being used by other scientists to identify new drug targets—that is, the place to which a drug binds in the body and another key part of the drug discovery process.
Between 1980 and 2006, despite an annual investment of $30 billion, researchers only managed to find about five new drug targets a year. The trouble is complexity. Most potential drug targets are proteins, and a protein’s structure—meaning the way a 2D sequence of amino acids folds into a 3D protein—determines its function.
But a protein with merely a hundred amino acids (a rather small protein) can produce a googol-cubed worth of potential shapes—that’s a one followed by three hundred zeroes. This is also why protein-folding has long been considered an intractably hard problem for even the most powerful of supercomputers.
Back in 1994, to monitor supercomputers’ progress in protein-folding, a biannual competition was created. Until 2018, success was fairly rare. But then the creators of DeepMind turned their neural networks loose on the problem. They created an AI that mines enormous datasets to determine the most likely distance between a protein’s base pairs and the angles of their chemical bonds—aka, the basics of protein-folding. They called it AlphaFold.
On its first foray into the competition, contestant AIs were given 43 protein-folding problems to solve. AlphaFold got 25 right. The second-place team managed a meager three. By predicting the elusive ways in which various proteins fold on the basis of their amino acid sequences, AlphaFold may soon have a tremendous impact in aiding drug discovery and fighting some of today’s most intractable diseases.
Drug Delivery
Another theater of war for improved drugs is the realm of drug delivery. Even here, converging exponential technologies are paving the way for massive implications in both human health and industry shifts.
One key contender is CRISPR, the fast-advancing gene-editing technology that stands to revolutionize synthetic biology and treatment of genetically linked diseases. And researchers have now demonstrated how this tool can be applied to create materials that shape-shift on command. Think: materials that dissolve instantaneously when faced with a programmed stimulus, releasing a specified drug at a highly targeted location.
Yet another potential boon for targeted drug delivery is nanotechnology, whereby medical nanorobots have now been used to fight incidences of cancer. In a recent review of medical micro- and nanorobotics, lead authors (from the University of Texas at Austin and University of California, San Diego) found numerous successful tests of in vivo operation of medical micro- and nanorobots.
Drugs From the Future
Covid-19 is uniting the global scientific community with its urgency, prompting scientists to cast aside nation-specific territorialism, research secrecy, and academic publishing politics in favor of expedited therapeutic and vaccine development efforts. And in the wake of rapid acceleration across healthcare technologies, Big Pharma is an area worth watching right now, no matter your industry. Converging technologies will soon enable extraordinary strides in longevity and disease prevention, with companies like Insilico leading the charge.
Riding the convergence of massive datasets, skyrocketing computational power, quantum computing, cognitive surplus capabilities, and remarkable innovations in AI, we are not far from a world in which personalized drugs, delivered directly to specified targets, will graduate from science fiction to the standard of care.
Rejuvenational biotechnology will be commercially available sooner than you think. When I asked Alex for his own projection, he set the timeline at “maybe 20 years—that’s a reasonable horizon for tangible rejuvenational biotechnology.”
How might you use an extra 20 or more healthy years in your life? What impact would you be able to make?
Join Me
(1) A360 Executive Mastermind: If you’re an exponentially and abundance-minded entrepreneur who would like coaching directly from me, consider joining my Abundance 360 Mastermind, a highly selective community of 360 CEOs and entrepreneurs who I coach for 3 days every January in Beverly Hills, Ca. Through A360, I provide my members with context and clarity about how converging exponential technologies will transform every industry. I’m committed to running A360 for the course of an ongoing 25-year journey as a “countdown to the Singularity.”
If you’d like to learn more and consider joining our 2021 membership, apply here.
(2) Abundance-Digital Online Community: I’ve also created a Digital/Online community of bold, abundance-minded entrepreneurs called Abundance-Digital. Abundance-Digital is Singularity University’s ‘onramp’ for exponential entrepreneurs—those who want to get involved and play at a higher level. Click here to learn more.
(Both A360 and Abundance-Digital are part of Singularity University—your participation opens you to a global community.)
This article originally appeared on diamandis.com. Read the original article here.
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Posted in Human Robots
#437236 Why We Need Mass Automation to ...
The scale of goods moving around the planet at any moment is staggering. Raw materials are dug up in one country, spun into parts and pieces in another, and assembled into products in a third. Crossing oceans and continents, they find their way to a local store or direct to your door.
Magically, a roll of toilet paper, power tool, or tube of toothpaste is there just when you need it.
Even more staggering is that this whole system, the global supply chain, works so well that it’s effectively invisible most of the time. Until now, that is. The pandemic has thrown a floodlight on the inner workings of this modern wonder—and it’s exposed massive vulnerabilities.
The e-commerce supply chain is an instructive example. As the world went into lockdown, and everything non-essential went online, demand for digital fulfillment skyrocketed.
Even under “normal” conditions, most e-commerce warehouses were struggling to meet demand. But Covid-19 has further strained the ability to cope with shifting supply, an unprecedented tidal wave of orders, and labor shortages. Local stores are running out of key products. Online grocers and e-commerce platforms are suspending some home deliveries, restricting online purchases of certain items, and limiting new customers. The whole system is being severely tested.
Why? Despite an abundance of 21st century technology, we’re stuck in the 20th century.
Today’s supply chain consists of fleets of ships, trucks, warehouses, and importantly, people scattered around the world. While there are some notable instances of advanced automation, the overwhelming majority of work is still manual, resembling a sort of human-powered bucket brigade, with people wandering around warehouses or standing alongside conveyor belts. Each package of diapers or bottle of detergent ordered by an online customer might be touched dozens of times by warehouse workers before finding its way into a box delivered to a home.
The pandemic has proven the critical need for innovation due to increased demand, concerns about the health and safety of workers, and traceability and safety of products and services.
At the 2020 World Economic Forum, there was much discussion about the ongoing societal transformation in which humans and machines work in tandem, automating and augmenting the way we get things done. At the time, pre-pandemic, debate trended toward skepticism and fear of job losses, with some even questioning the ethics and need for these technologies.
Now, we see things differently. To make the global supply chain more resilient to shocks like Covid-19, we must look to technology.
Perfecting the Global Supply Chain: The Massive ‘Matter Router’
Technology has faced and overcome similar challenges in the past.
World War II, for example, drove innovation in techniques for rapid production of many products on a large scale, including penicillin. We went from the availability of one dose of the drug in 1941, to four million sterile packages of the drug every month four years later.
Similarly, today’s companies, big and small, are looking to automation, robotics, and AI to meet the pandemic head on. These technologies are crucial to scaling the infrastructure that will fulfill most of the world’s e-commerce and food distribution needs.
You can think of this new infrastructure as a rapidly evolving “matter router” that will employ increasingly complex robotic systems to move products more freely and efficiently.
Robots powered by specialized AI software, for example, are already learning to adapt to changes in the environment, using the most recent advances in industrial robotics and machine learning. When customers suddenly need to order dramatically new items, these robots don’t need to stop or be reprogrammed. They can perform new tasks by learning from experience using low-cost camera systems and deep learning for visual and image recognition.
These more flexible robots can work around the clock, helping make facilities less sensitive to sudden changes in workforce and customer demand and strengthening the supply chain.
Today, e-commerce is roughly 12% of retail sales in the US and is expected to rise well beyond 25% within the decade, fueled by changes in buying habits. However, analysts have begun to consider whether the current crisis might cause permanent jumps in those numbers, as it has in the past (for instance with the SARS epidemic in China in 2003). Whatever happens, the larger supply chain will benefit from greater, more flexible automation, especially during global crises.
We must create what Hamza Mudassire of the University of Cambridge calls a “resilient ecosystem that links multiple buyers with multiple vendors, across a mesh of supply chains.” This ecosystem must be backed by robust, efficient, and scalable automation that uses robotics, autonomous vehicles, and the Internet of Things to help track the flow of goods through the supply chain.
The good news? We can accomplish this with technologies we have today.
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#437222 China and AI: What the World Can Learn ...
China announced in 2017 its ambition to become the world leader in artificial intelligence (AI) by 2030. While the US still leads in absolute terms, China appears to be making more rapid progress than either the US or the EU, and central and local government spending on AI in China is estimated to be in the tens of billions of dollars.
The move has led—at least in the West—to warnings of a global AI arms race and concerns about the growing reach of China’s authoritarian surveillance state. But treating China as a “villain” in this way is both overly simplistic and potentially costly. While there are undoubtedly aspects of the Chinese government’s approach to AI that are highly concerning and rightly should be condemned, it’s important that this does not cloud all analysis of China’s AI innovation.
The world needs to engage seriously with China’s AI development and take a closer look at what’s really going on. The story is complex and it’s important to highlight where China is making promising advances in useful AI applications and to challenge common misconceptions, as well as to caution against problematic uses.
Nesta has explored the broad spectrum of AI activity in China—the good, the bad, and the unexpected.
The Good
China’s approach to AI development and implementation is fast-paced and pragmatic, oriented towards finding applications which can help solve real-world problems. Rapid progress is being made in the field of healthcare, for example, as China grapples with providing easy access to affordable and high-quality services for its aging population.
Applications include “AI doctor” chatbots, which help to connect communities in remote areas with experienced consultants via telemedicine; machine learning to speed up pharmaceutical research; and the use of deep learning for medical image processing, which can help with the early detection of cancer and other diseases.
Since the outbreak of Covid-19, medical AI applications have surged as Chinese researchers and tech companies have rushed to try and combat the virus by speeding up screening, diagnosis, and new drug development. AI tools used in Wuhan, China, to tackle Covid-19 by helping accelerate CT scan diagnosis are now being used in Italy and have been also offered to the NHS in the UK.
The Bad
But there are also elements of China’s use of AI that are seriously concerning. Positive advances in practical AI applications that are benefiting citizens and society don’t detract from the fact that China’s authoritarian government is also using AI and citizens’ data in ways that violate privacy and civil liberties.
Most disturbingly, reports and leaked documents have revealed the government’s use of facial recognition technologies to enable the surveillance and detention of Muslim ethnic minorities in China’s Xinjiang province.
The emergence of opaque social governance systems that lack accountability mechanisms are also a cause for concern.
In Shanghai’s “smart court” system, for example, AI-generated assessments are used to help with sentencing decisions. But it is difficult for defendants to assess the tool’s potential biases, the quality of the data, and the soundness of the algorithm, making it hard for them to challenge the decisions made.
China’s experience reminds us of the need for transparency and accountability when it comes to AI in public services. Systems must be designed and implemented in ways that are inclusive and protect citizens’ digital rights.
The Unexpected
Commentators have often interpreted the State Council’s 2017 Artificial Intelligence Development Plan as an indication that China’s AI mobilization is a top-down, centrally planned strategy.
But a closer look at the dynamics of China’s AI development reveals the importance of local government in implementing innovation policy. Municipal and provincial governments across China are establishing cross-sector partnerships with research institutions and tech companies to create local AI innovation ecosystems and drive rapid research and development.
Beyond the thriving major cities of Beijing, Shanghai, and Shenzhen, efforts to develop successful innovation hubs are also underway in other regions. A promising example is the city of Hangzhou, in Zhejiang Province, which has established an “AI Town,” clustering together the tech company Alibaba, Zhejiang University, and local businesses to work collaboratively on AI development. China’s local ecosystem approach could offer interesting insights to policymakers in the UK aiming to boost research and innovation outside the capital and tackle longstanding regional economic imbalances.
China’s accelerating AI innovation deserves the world’s full attention, but it is unhelpful to reduce all the many developments into a simplistic narrative about China as a threat or a villain. Observers outside China need to engage seriously with the debate and make more of an effort to understand—and learn from—the nuances of what’s really happening.
This article is republished from The Conversation under a Creative Commons license. Read the original article.
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#437216 New Report: Tech Could Fuel an Age of ...
With rapid technological progress running headlong into dramatic climate change and widening inequality, most experts agree the coming decade will be tumultuous. But a new report predicts it could actually make or break civilization as we know it.
The idea that humanity is facing a major shake-up this century is not new. The Fourth Industrial Revolution being brought about by technologies like AI, gene editing, robotics, and 3D printing is predicted to cause dramatic social, political, and economic upheaval in the coming decades.
But according to think tank RethinkX, thinking about the coming transition as just another industrial revolution is too simplistic. In a report released last week called Rethinking Humanity, the authors argue that we are about to see a reordering of our relationship with the world as fundamental as when hunter-gatherers came together to build the first civilizations.
At the core of their argument is the fact that since the first large human settlements appeared 10,000 years ago, civilization has been built on the back of our ability to extract resources from nature, be they food, energy, or materials. This led to a competitive landscape where the governing logic is grow or die, which has driven all civilizations to date.
That could be about to change thanks to emerging technologies that will fundamentally disrupt the five foundational sectors underpinning society: information, energy, food, transportation, and materials. They predict that across all five, costs will fall by 10 times or more, while production processes will become 10 times more efficient and will use 90 percent fewer natural resources with 10 to 100 times less waste.
They say that this transformation has already happened in information, where the internet has dramatically reduced barriers to communication and knowledge. They predict the combination of cheap solar and grid storage will soon see energy costs drop as low as one cent per kilowatt hour, and they envisage widespread adoption of autonomous electric vehicles and the replacement of car ownership with ride-sharing.
The authors laid out their vision for the future of food in another report last year, where they predicted that traditional agriculture would soon be replaced by industrial-scale brewing of single-celled organisms genetically modified to produce all the nutrients we need. In a similar vein, they believe the same processes combined with additive manufacturing and “nanotechnologies” will allow us to build all the materials required for the modern world from the molecule up rather than extracting scarce natural resources.
They believe this could allow us to shift from a system of production based on extraction to one built on creation, as limitless renewable energy makes it possible to build everything we need from scratch and barriers to movement and information disappear. As a result, a lifestyle worthy of the “American Dream” could be available to anyone for as little as $250/month by 2030.
This will require a fundamental reimagining of our societies, though. All great civilizations have eventually hit fundamental limits on their growth and we are no different, as demonstrated by our growing impact on the environment and the increasing concentration of wealth. Historically this stage of development has lead to a doubling down on old tactics in search of short-term gains, but this invariably leads to the collapse of the civilization.
The authors argue that we’re in a unique position. Because of the technological disruption detailed above, we have the ability to break through the limits on our growth. But only if we change what the authors call our “Organizing System.” They describe this as “the prevailing models of thought, belief systems, myths, values, abstractions, and conceptual frameworks that help explain how the world works and our relationship to it.”
They say that the current hierarchical, centralized system based on nation-states is unfit for the new system of production that is emerging. The cracks are already starting to appear, with problems like disinformation campaigns, fake news, and growing polarization demonstrating how ill-suited our institutions are for dealing with the distributed nature of today’s information systems. And as this same disruption comes to the other foundational sectors the shockwaves could lead to the collapse of civilization as we know it.
Their solution is a conscious shift towards a new way of organizing the world. As emerging technology allows communities to become self-sufficient, flows of physical resources will be replaced by flows of information, and we will require a decentralized but highly networked Organizing System.
The report includes detailed recommendations on how to usher this in. Examples include giving individuals control and ownership of data rights; developing new models for community ownership of energy, information, and transportation networks; and allowing states and cities far greater autonomy on policies like immigration, taxation, education, and public expenditure.
How easy it will be to get people on board with such a shift is another matter. The authors say it may require us to re-examine the foundations of our society, like representative democracy, capitalism, and nation-states. While they acknowledge that these ideas are deeply entrenched, they appear to believe we can reason our way around them.
That seems optimistic. Cultural and societal change can be glacial, and efforts to impose it top-down through reason and logic are rarely successful. The report seems to brush over many of the messy realities of humanity, such as the huge sway that tradition and religion hold over the vast majority of people.
It also doesn’t deal with the uneven distribution of the technology that is supposed to catapult us into this new age. And while the predicted revolutions in transportation, energy, and information do seem inevitable, the idea that in the next decade or two we’ll be able to produce any material we desire using cheap and abundant stock materials seems like a stretch.
Despite the techno-utopianism though, many of the ideas in the report hold promise for building societies that are better adapted for the disruptive new age we are about to enter.
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#437171 Scientists Tap the World’s Most ...
In The Hitchhiker’s Guide to the Galaxy by Douglas Adams, the haughty supercomputer Deep Thought is asked whether it can find the answer to the ultimate question concerning life, the universe, and everything. It replies that, yes, it can do it, but it’s tricky and it’ll have to think about it. When asked how long it will take it replies, “Seven-and-a-half million years. I told you I’d have to think about it.”
Real-life supercomputers are being asked somewhat less expansive questions but tricky ones nonetheless: how to tackle the Covid-19 pandemic. They’re being used in many facets of responding to the disease, including to predict the spread of the virus, to optimize contact tracing, to allocate resources and provide decisions for physicians, to design vaccines and rapid testing tools, and to understand sneezes. And the answers are needed in a rather shorter time frame than Deep Thought was proposing.
The largest number of Covid-19 supercomputing projects involves designing drugs. It’s likely to take several effective drugs to treat the disease. Supercomputers allow researchers to take a rational approach and aim to selectively muzzle proteins that SARS-CoV-2, the virus that causes Covid-19, needs for its life cycle.
The viral genome encodes proteins needed by the virus to infect humans and to replicate. Among these are the infamous spike protein that sniffs out and penetrates its human cellular target, but there are also enzymes and molecular machines that the virus forces its human subjects to produce for it. Finding drugs that can bind to these proteins and stop them from working is a logical way to go.
The Summit supercomputer at Oak Ridge National Laboratory has a peak performance of 200,000 trillion calculations per second—equivalent to about a million laptops. Image credit: Oak Ridge National Laboratory, U.S. Dept. of Energy, CC BY
I am a molecular biophysicist. My lab, at the Center for Molecular Biophysics at the University of Tennessee and Oak Ridge National Laboratory, uses a supercomputer to discover drugs. We build three-dimensional virtual models of biological molecules like the proteins used by cells and viruses, and simulate how various chemical compounds interact with those proteins. We test thousands of compounds to find the ones that “dock” with a target protein. Those compounds that fit, lock-and-key style, with the protein are potential therapies.
The top-ranked candidates are then tested experimentally to see if they indeed do bind to their targets and, in the case of Covid-19, stop the virus from infecting human cells. The compounds are first tested in cells, then animals, and finally humans. Computational drug discovery with high-performance computing has been important in finding antiviral drugs in the past, such as the anti-HIV drugs that revolutionized AIDS treatment in the 1990s.
World’s Most Powerful Computer
Since the 1990s the power of supercomputers has increased by a factor of a million or so. Summit at Oak Ridge National Laboratory is presently the world’s most powerful supercomputer, and has the combined power of roughly a million laptops. A laptop today has roughly the same power as a supercomputer had 20-30 years ago.
However, in order to gin up speed, supercomputer architectures have become more complicated. They used to consist of single, very powerful chips on which programs would simply run faster. Now they consist of thousands of processors performing massively parallel processing in which many calculations, such as testing the potential of drugs to dock with a pathogen or cell’s proteins, are performed at the same time. Persuading those processors to work together harmoniously is a pain in the neck but means we can quickly try out a lot of chemicals virtually.
Further, researchers use supercomputers to figure out by simulation the different shapes formed by the target binding sites and then virtually dock compounds to each shape. In my lab, that procedure has produced experimentally validated hits—chemicals that work—for each of 16 protein targets that physician-scientists and biochemists have discovered over the past few years. These targets were selected because finding compounds that dock with them could result in drugs for treating different diseases, including chronic kidney disease, prostate cancer, osteoporosis, diabetes, thrombosis and bacterial infections.
Scientists are using supercomputers to find ways to disable the various proteins—including the infamous spike protein (green protrusions)—produced by SARS-CoV-2, the virus responsible for Covid-19. Image credit: Thomas Splettstoesser scistyle.com, CC BY-ND
Billions of Possibilities
So which chemicals are being tested for Covid-19? A first approach is trying out drugs that already exist for other indications and that we have a pretty good idea are reasonably safe. That’s called “repurposing,” and if it works, regulatory approval will be quick.
But repurposing isn’t necessarily being done in the most rational way. One idea researchers are considering is that drugs that work against protein targets of some other virus, such as the flu, hepatitis or Ebola, will automatically work against Covid-19, even when the SARS-CoV-2 protein targets don’t have the same shape.
Our own work has now expanded to about 10 targets on SARS-CoV-2, and we’re also looking at human protein targets for disrupting the virus’s attack on human cells. Top-ranked compounds from our calculations are being tested experimentally for activity against the live virus. Several of these have already been found to be active.The best approach is to check if repurposed compounds will actually bind to their intended target. To that end, my lab published a preliminary report of a supercomputer-driven docking study of a repurposing compound database in mid-February. The study ranked 8,000 compounds in order of how well they bind to the viral spike protein. This paper triggered the establishment of a high-performance computing consortium against our viral enemy, announced by President Trump in March. Several of our top-ranked compounds are now in clinical trials.
Also, we and others are venturing out into the wild world of new drug discovery for Covid-19—looking for compounds that have never been tried as drugs before. Databases of billions of these compounds exist, all of which could probably be synthesized in principle but most of which have never been made. Billion-compound docking is a tailor-made task for massively parallel supercomputing.
Dawn of the Exascale Era
Work will be helped by the arrival of the next big machine at Oak Ridge, called Frontier, planned for next year. Frontier should be about 10 times more powerful than Summit. Frontier will herald the “exascale” supercomputing era, meaning machines capable of 1,000,000,000,000,000,000 calculations per second.
Although some fear supercomputers will take over the world, for the time being, at least, they are humanity’s servants, which means that they do what we tell them to. Different scientists have different ideas about how to calculate which drugs work best—some prefer artificial intelligence, for example—so there’s quite a lot of arguing going on.
Hopefully, scientists armed with the most powerful computers in the world will, sooner rather than later, find the drugs needed to tackle Covid-19. If they do, then their answers will be of more immediate benefit, if less philosophically tantalizing, than the answer to the ultimate question provided by Deep Thought, which was, maddeningly, simply 42.
This article is republished from The Conversation under a Creative Commons license. Read the original article.
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