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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?
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This article originally appeared on diamandis.com. Read the original article here.
Image Credit: andreas160578 from Pixabay Continue reading
Posted in Human Robots
#432331 $10 million XPRIZE Aims for Robot ...
Ever wished you could be in two places at the same time? The XPRIZE Foundation wants to make that a reality with a $10 million competition to build robot avatars that can be controlled from at least 100 kilometers away.
The competition was announced by XPRIZE founder Peter Diamandis at the SXSW conference in Austin last week, with an ambitious timeline of awarding the grand prize by October 2021. Teams have until October 31st to sign up, and they need to submit detailed plans to a panel of judges by the end of next January.
The prize, sponsored by Japanese airline ANA, has given contestants little guidance on how they expect them to solve the challenge other than saying their solutions need to let users see, hear, feel, and interact with the robot’s environment as well as the people in it.
XPRIZE has also not revealed details of what kind of tasks the robots will be expected to complete, though they’ve said tasks will range from “simple” to “complex,” and it should be possible for an untrained operator to use them.
That’s a hugely ambitious goal that’s likely to require teams to combine multiple emerging technologies, from humanoid robotics to virtual reality high-bandwidth communications and high-resolution haptics.
If any of the teams succeed, the technology could have myriad applications, from letting emergency responders enter areas too hazardous for humans to helping people care for relatives who live far away or even just allowing tourists to visit other parts of the world without the jet lag.
“Our ability to physically experience another geographic location, or to provide on-the-ground assistance where needed, is limited by cost and the simple availability of time,” Diamandis said in a statement.
“The ANA Avatar XPRIZE can enable creation of an audacious alternative that could bypass these limitations, allowing us to more rapidly and efficiently distribute skill and hands-on expertise to distant geographic locations where they are needed, bridging the gap between distance, time, and cultures,” he added.
Interestingly, the technology may help bypass an enduring hand break on the widespread use of robotics: autonomy. By having a human in the loop, you don’t need nearly as much artificial intelligence analyzing sensory input and making decisions.
Robotics software is doing a lot more than just high-level planning and strategizing, though. While a human moves their limbs instinctively without consciously thinking about which muscles to activate, controlling and coordinating a robot’s components requires sophisticated algorithms.
The DARPA Robotics Challenge demonstrated just how hard it was to get human-shaped robots to do tasks humans would find simple, such as opening doors, climbing steps, and even just walking. These robots were supposedly semi-autonomous, but on many tasks they were essentially tele-operated, and the results suggested autonomy isn’t the only problem.
There’s also the issue of powering these devices. You may have noticed that in a lot of the slick web videos of humanoid robots doing cool things, the machine is attached to the roof by a large cable. That’s because they suck up huge amounts of power.
Possibly the most advanced humanoid robot—Boston Dynamics’ Atlas—has a battery, but it can only run for about an hour. That might be fine for some applications, but you don’t want it running out of juice halfway through rescuing someone from a mine shaft.
When it comes to the link between the robot and its human user, some of the technology is probably not that much of a stretch. Virtual reality headsets can create immersive audio-visual environments, and a number of companies are working on advanced haptic suits that will let people “feel” virtual environments.
Motion tracking technology may be more complicated. While even consumer-grade devices can track peoples’ movements with high accuracy, you will probably need to don something more like an exoskeleton that can both pick up motion and provide mechanical resistance, so that when the robot bumps into an immovable object, the user stops dead too.
How hard all of this will be is also dependent on how the competition ultimately defines subjective terms like “feel” and “interact.” Will the user need to be able to feel a gentle breeze on the robot’s cheek or be able to paint a watercolor? Or will simply having the ability to distinguish a hard object from a soft one or shake someone’s hand be enough?
Whatever the fidelity they decide on, the approach will require huge amounts of sensory and control data to be transmitted over large distances, most likely wirelessly, in a way that’s fast and reliable enough that there’s no lag or interruptions. Fortunately 5G is launching this year, with a speed of 10 gigabits per second and very low latency, so this problem should be solved by 2021.
And it’s worth remembering there have already been some tentative attempts at building robotic avatars. Telepresence robots have solved the seeing, hearing, and some of the interacting problems, and MIT has already used virtual reality to control robots to carry out complex manipulation tasks.
South Korean company Hankook Mirae Technology has also unveiled a 13-foot-tall robotic suit straight out of a sci-fi movie that appears to have made some headway with the motion tracking problem, albeit with a human inside the robot. Toyota’s T-HR3 does the same, but with the human controlling the robot from a “Master Maneuvering System” that marries motion tracking with VR.
Combining all of these capabilities into a single machine will certainly prove challenging. But if one of the teams pulls it off, you may be able to tick off trips to the Seven Wonders of the World without ever leaving your house.
Image Credit: ANA Avatar XPRIZE Continue reading
Posted in Human Robots