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#437276 Cars Will Soon Be Able to Sense and ...
Imagine you’re on your daily commute to work, driving along a crowded highway while trying to resist looking at your phone. You’re already a little stressed out because you didn’t sleep well, woke up late, and have an important meeting in a couple hours, but you just don’t feel like your best self.
Suddenly another car cuts you off, coming way too close to your front bumper as it changes lanes. Your already-simmering emotions leap into overdrive, and you lay on the horn and shout curses no one can hear.
Except someone—or, rather, something—can hear: your car. Hearing your angry words, aggressive tone, and raised voice, and seeing your furrowed brow, the onboard computer goes into “soothe” mode, as it’s been programmed to do when it detects that you’re angry. It plays relaxing music at just the right volume, releases a puff of light lavender-scented essential oil, and maybe even says some meditative quotes to calm you down.
What do you think—creepy? Helpful? Awesome? Weird? Would you actually calm down, or get even more angry that a car is telling you what to do?
Scenarios like this (maybe without the lavender oil part) may not be imaginary for much longer, especially if companies working to integrate emotion-reading artificial intelligence into new cars have their way. And it wouldn’t just be a matter of your car soothing you when you’re upset—depending what sort of regulations are enacted, the car’s sensors, camera, and microphone could collect all kinds of data about you and sell it to third parties.
Computers and Feelings
Just as AI systems can be trained to tell the difference between a picture of a dog and one of a cat, they can learn to differentiate between an angry tone of voice or facial expression and a happy one. In fact, there’s a whole branch of machine intelligence devoted to creating systems that can recognize and react to human emotions; it’s called affective computing.
Emotion-reading AIs learn what different emotions look and sound like from large sets of labeled data; “smile = happy,” “tears = sad,” “shouting = angry,” and so on. The most sophisticated systems can likely even pick up on the micro-expressions that flash across our faces before we consciously have a chance to control them, as detailed by Daniel Goleman in his groundbreaking book Emotional Intelligence.
Affective computing company Affectiva, a spinoff from MIT Media Lab, says its algorithms are trained on 5,313,751 face videos (videos of people’s faces as they do an activity, have a conversation, or react to stimuli) representing about 2 billion facial frames. Fascinatingly, Affectiva claims its software can even account for cultural differences in emotional expression (for example, it’s more normalized in Western cultures to be very emotionally expressive, whereas Asian cultures tend to favor stoicism and politeness), as well as gender differences.
But Why?
As reported in Motherboard, companies like Affectiva, Cerence, Xperi, and Eyeris have plans in the works to partner with automakers and install emotion-reading AI systems in new cars. Regulations passed last year in Europe and a bill just introduced this month in the US senate are helping make the idea of “driver monitoring” less weird, mainly by emphasizing the safety benefits of preemptive warning systems for tired or distracted drivers (remember that part in the beginning about sneaking glances at your phone? Yeah, that).
Drowsiness and distraction can’t really be called emotions, though—so why are they being lumped under an umbrella that has a lot of other implications, including what many may consider an eerily Big Brother-esque violation of privacy?
Our emotions, in fact, are among the most private things about us, since we are the only ones who know their true nature. We’ve developed the ability to hide and disguise our emotions, and this can be a useful skill at work, in relationships, and in scenarios that require negotiation or putting on a game face.
And I don’t know about you, but I’ve had more than one good cry in my car. It’s kind of the perfect place for it; private, secluded, soundproof.
Putting systems into cars that can recognize and collect data about our emotions under the guise of preventing accidents due to the state of mind of being distracted or the physical state of being sleepy, then, seems a bit like a bait and switch.
A Highway to Privacy Invasion?
European regulations will help keep driver data from being used for any purpose other than ensuring a safer ride. But the US is lagging behind on the privacy front, with car companies largely free from any enforceable laws that would keep them from using driver data as they please.
Affectiva lists the following as use cases for occupant monitoring in cars: personalizing content recommendations, providing alternate route recommendations, adapting environmental conditions like lighting and heating, and understanding user frustration with virtual assistants and designing those assistants to be emotion-aware so that they’re less frustrating.
Our phones already do the first two (though, granted, we’re not supposed to look at them while we drive—but most cars now let you use bluetooth to display your phone’s content on the dashboard), and the third is simply a matter of reaching a hand out to turn a dial or press a button. The last seems like a solution for a problem that wouldn’t exist without said… solution.
Despite how unnecessary and unsettling it may seem, though, emotion-reading AI isn’t going away, in cars or other products and services where it might provide value.
Besides automotive AI, Affectiva also makes software for clients in the advertising space. With consent, the built-in camera on users’ laptops records them while they watch ads, gauging their emotional response, what kind of marketing is most likely to engage them, and how likely they are to buy a given product. Emotion-recognition tech is also being used or considered for use in mental health applications, call centers, fraud monitoring, and education, among others.
In a 2015 TED talk, Affectiva co-founder Rana El-Kaliouby told her audience that we’re living in a world increasingly devoid of emotion, and her goal was to bring emotions back into our digital experiences. Soon they’ll be in our cars, too; whether the benefits will outweigh the costs remains to be seen.
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#437265 This Russian Firm’s Star Designer Is ...
Imagine discovering a new artist or designer—whether visual art, fashion, music, or even writing—and becoming a big fan of her work. You follow her on social media, eagerly anticipate new releases, and chat about her talent with your friends. It’s not long before you want to know more about this creative, inspiring person, so you start doing some research. It’s strange, but there doesn’t seem to be any information about the artist’s past online; you can’t find out where she went to school or who her mentors were.
After some more digging, you find out something totally unexpected: your beloved artist is actually not a person at all—she’s an AI.
Would you be amused? Annoyed? Baffled? Impressed? Probably some combination of all these. If you wanted to ask someone who’s had this experience, you could talk to clients of the biggest multidisciplinary design company in Russia, Art.Lebedev Studio (I know, the period confused me at first too). The studio passed off an AI designer as human for more than a year, and no one caught on.
They gave the AI a human-sounding name—Nikolay Ironov—and it participated in more than 20 different projects that included designing brand logos and building brand identities. According to the studio’s website, several of the logos the AI made attracted “considerable public interest, media attention, and discussion in online communities” due to their unique style.
So how did an AI learn to create such buzz-worthy designs? It was trained using hand-drawn vector images each associated with one or more themes. To start a new design, someone enters a few words describing the client, such as what kind of goods or services they offer. The AI uses those words to find associated images and generate various starter designs, which then go through another series of algorithms that “touch them up.” A human designer then selects the best options to present to the client.
“These systems combined together provide users with the experience of instantly converting a client’s text brief into a corporate identity design pack archive. Within seconds,” said Sergey Kulinkovich, the studio’s art director. He added that clients liked Nikolay Ironov’s work before finding out he was an AI (and liked the media attention their brands got after Ironov’s identity was revealed even more).
Ironov joins a growing group of AI “artists” that are starting to raise questions about the nature of art and creativity. Where do creative ideas come from? What makes a work of art truly great? And when more than one person is involved in making art, who should own the copyright?
Art.Lebedev is far from the first design studio to employ artificial intelligence; Mailchimp is using AI to let businesses design multi-channel marketing campaigns without human designers, and Adobe is marketing its new Sensei product as an AI design assistant.
While art made by algorithms can be unique and impressive, though, there’s one caveat that’s important to keep in mind when we worry about human creativity being rendered obsolete. Here’s the thing: AIs still depend on people to not only program them, but feed them a set of training data on which their intelligence and output are based. Depending on the size and nature of an AI’s input data, its output will look pretty different from that of a similar system, and a big part of the difference will be due to the people that created and trained the AIs.
Admittedly, Nikolay Ironov does outshine his human counterparts in a handful of ways; as the studio’s website points out, he can handle real commercial tasks effectively, he doesn’t sleep, get sick, or have “crippling creative blocks,” and he can complete tasks in a matter of seconds.
Given these superhuman capabilities, then, why even keep human designers on staff? As detailed above, it will be a while before creative firms really need to consider this question on a large scale; for now, it still takes a hard-working creative human to make a fast-producing creative AI.
Image Credit: Art.Lebedev Continue reading
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#437209 A Renaissance of Genomics and Drugs Is ...
The causes of aging are extremely complex and unclear. But with longevity clinical trials increasing, more answers—and questions—are emerging than ever before.
With the dramatic demonetization of genome reading and editing over the past decade, and Big Pharma, startups, and the FDA starting to face aging as a disease, we are starting to turn those answers into practical ways to extend our healthspan.
In this article, I’ll explore how genome sequencing and editing, along with new classes of anti-aging drugs, are augmenting our biology to further extend our healthy lives.
Genome Sequencing and Editing
Your genome is the software that runs your body. A sequence of 3.2 billion letters makes you “you.” These base pairs of A’s, T’s, C’s, and G’s determine your hair color, your height, your personality, your propensity for disease, your lifespan, and so on.
Until recently, it’s been very difficult to rapidly and cheaply “read” these letters—and even more difficult to understand what they mean. Since 2001, the cost to sequence a whole human genome has plummeted exponentially, outpacing Moore’s Law threefold. From an initial cost of $3.7 billion, it dropped to $10 million in 2006, and to $1,500 in 2015.
Today, the cost of genome sequencing has dropped below $600, and according to Illumina, the world’s leading sequencing company, the process will soon cost about $100 and take about an hour to complete.
This represents one of the most powerful and transformative technology revolutions in healthcare. When we understand your genome, we’ll be able to understand how to optimize “you.”
We’ll know the perfect foods, the perfect drugs, the perfect exercise regimen, and the perfect supplements, just for you.
We’ll understand what microbiome types, or gut flora, are ideal for you (more on this in a later article).
We’ll accurately predict how specific sedatives and medicines will impact you.
We’ll learn which diseases and illnesses you’re most likely to develop and, more importantly, how to best prevent them from developing in the first place (rather than trying to cure them after the fact).
CRISPR Gene Editing
In addition to reading the human genome, scientists can now edit a genome using a naturally occurring biological system discovered in 1987 called CRISPR/Cas9.
Short for Clustered Regularly Interspaced Short Palindromic Repeats and CRISPR-associated protein 9, the editing system was adapted from a naturally-occurring defense system found in bacteria.
Here’s how it works. The bacteria capture snippets of DNA from invading viruses (or bacteriophage) and use them to create DNA segments known as CRISPR arrays. The CRISPR arrays allow the bacteria to “remember” the viruses (or closely related ones), and defend against future invasions. If the viruses attack again, the bacteria produce RNA segments from the CRISPR arrays to target the viruses’ DNA. The bacteria then use Cas9 to cut the DNA apart, which disables the virus.
Most importantly, CRISPR is cheap, quick, easy to use, and more accurate than all previous gene editing methods. As a result, CRISPR/Cas9 has swept through labs around the world as the way to edit a genome. A short search in the literature will show an exponential rise in the number of CRISPR-related publications and patents.
2018: Filled With CRISPR Breakthroughs
Early results are impressive. Researchers have used CRISPR to genetically engineer cocaine resistance into mice, reverse the gene defect causing Duchenne muscular dystrophy (DMD) in dogs, and reduce genetic deafness in mice.
Already this year, CRISPR-edited immune cells have been shown to successfully kill cancer cells in human patients. Researchers have discovered ways to activate CRISPR with light and use the gene-editing technology to better understand Alzheimer’s disease progression.
With great power comes great responsibility, and the opportunity for moral and ethical dilemmas. In 2015, Chinese scientists sparked global controversy when they first edited human embryo cells in the lab with the goal of modifying genes that would make the child resistant to smallpox, HIV, and cholera. Three years later, in November 2018, researcher He Jiankui informed the world that the first set of CRISPR-engineered female twins had been delivered.
To accomplish his goal, Jiankui deleted a region of a receptor on the surface of white blood cells known as CCR5, introducing a rare, natural genetic variation that makes it more difficult for HIV to infect its favorite target, white blood cells. Because Jiankui forged ethical review documents and misled doctors in the process, he was sentenced to three years in prison and fined $429,000 last December.
Coupled with significant ethical conversations necessary for progress, CRISPR will soon provide us the tools to eliminate diseases, create hardier offspring, produce new environmentally resistant crops, and even wipe out pathogens.
Senolytics, Nutraceuticals, and Pharmaceuticals
Over the arc of your life, the cells in your body divide until they reach what is known as the Hayflick limit, or the number of times a normal human cell population will divide before cell division stops, which is typically about 50 divisions.
What normally follows next is programmed cell death or destruction by the immune system. A very small fraction of cells, however, become senescent cells and evade this fate to linger indefinitely. These lingering cells secrete a potent mix of molecules that triggers chronic inflammation, damages the surrounding tissue structures, and changes the behavior of nearby cells for the worse. Senescent cells appear to be one of the root causes of aging, causing everything from fibrosis and blood vessel calcification to localized inflammatory conditions such as osteoarthritis to diminished lung function.
Fortunately, both the scientific and entrepreneurial communities have begun to work on senolytic therapies, moving the technology for selectively destroying senescent cells out of the laboratory and into a half-dozen startup companies.
Prominent companies in the field include the following:
Unity Biotechnology is developing senolytic medicines to selectively eliminate senescent cells with an initial focus on delivering localized therapy in osteoarthritis, ophthalmology, and pulmonary disease.
Oisin Biotechnologies is pioneering a programmable gene therapy that can destroy cells based on their internal biochemistry.
SIWA Therapeutics is working on an immunotherapy approach to the problem of senescent cells.
In recent years, researchers have identified or designed a handful of senolytic compounds that can curb aging by regulating senescent cells. Two of these drugs that have gained mainstay research traction are rapamycin and metformin.
(1) Rapamycin
Originally extracted from bacteria found on Easter Island, rapamycin acts on the m-TOR (mechanistic target of rapamycin) pathway to selectively block a key protein that facilitates cell division. Currently, rapamycin derivatives are widely used for immunosuppression in organ and bone marrow transplants. Research now suggests that use results in prolonged lifespan and enhanced cognitive and immune function.
PureTech Health subsidiary resTORbio (which went public in 2018) is working on a rapamycin-based drug intended to enhance immunity and reduce infection. Their clinical-stage RTB101 drug works by inhibiting part of the mTOR pathway.
Results of the drug’s recent clinical trial include decreased incidence of infection, improved influenza vaccination response, and a 30.6 percent decrease in respiratory tract infection.
Impressive, to say the least.
(2) Metformin
Metformin is a widely-used generic drug for mitigating liver sugar production in Type 2 diabetes patients. Researchers have found that metformin also reduces oxidative stress and inflammation, which otherwise increase as we age. There is strong evidence that metformin can augment cellular regeneration and dramatically mitigate cellular senescence by reducing both oxidative stress and inflammation.
Over 100 studies registered on ClinicalTrials.gov are currently following up on strong evidence of metformin’s protective effect against cancer.
(3) Nutraceuticals and NAD+
Beyond cellular senescence, certain critical nutrients and proteins tend to decline as a function of age. Nutraceuticals combat aging by supplementing and replenishing these declining nutrient levels.
NAD+ exists in every cell, participating in every process from DNA repair to creating the energy vital for cellular processes. It’s been shown that NAD+ levels decline as we age.
The Elysium Health Basis supplement aims to elevate NAD+ levels in the body to extend one’s lifespan. Elysium’s first clinical study reports that Basis increases NAD+ levels consistently by a sustained 40 percent.
Conclusion
These are just a taste of the tremendous momentum that longevity and aging technology has right now. As artificial intelligence and quantum computing transform how we decode our DNA and how we discover drugs, genetics and pharmaceuticals will become truly personalized.
The next article in this series will demonstrate how artificial intelligence is converging with genetics and pharmaceuticals to transform how we approach longevity, aging, and vitality.
We are edging closer toward a dramatically extended healthspan—where 100 is the new 60. What will you create, where will you explore, and how will you spend your time if you are able to add an additional 40 healthy years to your life?
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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#437182 MIT’s Tiny New Brain Chip Aims for AI ...
The human brain operates on roughly 20 watts of power (a third of a 60-watt light bulb) in a space the size of, well, a human head. The biggest machine learning algorithms use closer to a nuclear power plant’s worth of electricity and racks of chips to learn.
That’s not to slander machine learning, but nature may have a tip or two to improve the situation. Luckily, there’s a branch of computer chip design heeding that call. By mimicking the brain, super-efficient neuromorphic chips aim to take AI off the cloud and put it in your pocket.
The latest such chip is smaller than a piece of confetti and has tens of thousands of artificial synapses made out of memristors—chip components that can mimic their natural counterparts in the brain.
In a recent paper in Nature Nanotechnology, a team of MIT scientists say their tiny new neuromorphic chip was used to store, retrieve, and manipulate images of Captain America’s Shield and MIT’s Killian Court. Whereas images stored with existing methods tended to lose fidelity over time, the new chip’s images remained crystal clear.
“So far, artificial synapse networks exist as software. We’re trying to build real neural network hardware for portable artificial intelligence systems,” Jeehwan Kim, associate professor of mechanical engineering at MIT said in a press release. “Imagine connecting a neuromorphic device to a camera on your car, and having it recognize lights and objects and make a decision immediately, without having to connect to the internet. We hope to use energy-efficient memristors to do those tasks on-site, in real-time.”
A Brain in Your Pocket
Whereas the computers in our phones and laptops use separate digital components for processing and memory—and therefore need to shuttle information between the two—the MIT chip uses analog components called memristors that process and store information in the same place. This is similar to the way the brain works and makes memristors far more efficient. To date, however, they’ve struggled with reliability and scalability.
To overcome these challenges, the MIT team designed a new kind of silicon-based, alloyed memristor. Ions flowing in memristors made from unalloyed materials tend to scatter as the components get smaller, meaning the signal loses fidelity and the resulting computations are less reliable. The team found an alloy of silver and copper helped stabilize the flow of silver ions between electrodes, allowing them to scale the number of memristors on the chip without sacrificing functionality.
While MIT’s new chip is promising, there’s likely a ways to go before memristor-based neuromorphic chips go mainstream. Between now and then, engineers like Kim have their work cut out for them to further scale and demonstrate their designs. But if successful, they could make for smarter smartphones and other even smaller devices.
“We would like to develop this technology further to have larger-scale arrays to do image recognition tasks,” Kim said. “And some day, you might be able to carry around artificial brains to do these kinds of tasks, without connecting to supercomputers, the internet, or the cloud.”
Special Chips for AI
The MIT work is part of a larger trend in computing and machine learning. As progress in classical chips has flagged in recent years, there’s been an increasing focus on more efficient software and specialized chips to continue pushing the pace.
Neuromorphic chips, for example, aren’t new. IBM and Intel are developing their own designs. So far, their chips have been based on groups of standard computing components, such as transistors (as opposed to memristors), arranged to imitate neurons in the brain. These chips are, however, still in the research phase.
Graphics processing units (GPUs)—chips originally developed for graphics-heavy work like video games—are the best practical example of specialized hardware for AI and were heavily used in this generation of machine learning early on. In the years since, Google, NVIDIA, and others have developed even more specialized chips that cater more specifically to machine learning.
The gains from such specialized chips are already being felt.
In a recent cost analysis of machine learning, research and investment firm ARK Invest said cost declines have far outpaced Moore’s Law. In a particular example, they found the cost to train an image recognition algorithm (ResNet-50) went from around $1,000 in 2017 to roughly $10 in 2019. The fall in cost to actually run such an algorithm was even more dramatic. It took $10,000 to classify a billion images in 2017 and just $0.03 in 2019.
Some of these declines can be traced to better software, but according to ARK, specialized chips have improved performance by nearly 16 times in the last three years.
As neuromorphic chips—and other tailored designs—advance further in the years to come, these trends in cost and performance may continue. Eventually, if all goes to plan, we might all carry a pocket brain that can do the work of today’s best AI.
Image credit: Peng Lin Continue reading
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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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