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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
#437179 Drug-carrying platelets engineered to ...
A team of researchers from the University of California San Diego and the University of Science and Technology Beijing has developed a way to engineer platelets to propel themselves through biofluids as a means of delivering drugs to targeted parts of the body. In their paper published in the journal Science Robotics, the group outlines their method and how well it worked when tested in the lab. In the same issue, Jinjun Shi with Brigham and Women's Hospital has published a Focus piece outlining ongoing research into the development of natural drug delivery systems and the method used in this new effort. Continue reading
Posted in Human Robots
#436190 What Is the Uncanny Valley?
Have you ever encountered a lifelike humanoid robot or a realistic computer-generated face that seem a bit off or unsettling, though you can’t quite explain why?
Take for instance AVA, one of the “digital humans” created by New Zealand tech startup Soul Machines as an on-screen avatar for Autodesk. Watching a lifelike digital being such as AVA can be both fascinating and disconcerting. AVA expresses empathy through her demeanor and movements: slightly raised brows, a tilt of the head, a nod.
By meticulously rendering every lash and line in its avatars, Soul Machines aimed to create a digital human that is virtually undistinguishable from a real one. But to many, rather than looking natural, AVA actually looks creepy. There’s something about it being almost human but not quite that can make people uneasy.
Like AVA, many other ultra-realistic avatars, androids, and animated characters appear stuck in a disturbing in-between world: They are so lifelike and yet they are not “right.” This void of strangeness is known as the uncanny valley.
Uncanny Valley: Definition and History
The uncanny valley is a concept first introduced in the 1970s by Masahiro Mori, then a professor at the Tokyo Institute of Technology. The term describes Mori’s observation that as robots appear more humanlike, they become more appealing—but only up to a certain point. Upon reaching the uncanny valley, our affinity descends into a feeling of strangeness, a sense of unease, and a tendency to be scared or freaked out.
Image: Masahiro Mori
The uncanny valley as depicted in Masahiro Mori’s original graph: As a robot’s human likeness [horizontal axis] increases, our affinity towards the robot [vertical axis] increases too, but only up to a certain point. For some lifelike robots, our response to them plunges, and they appear repulsive or creepy. That’s the uncanny valley.
In his seminal essay for Japanese journal Energy, Mori wrote:
I have noticed that, in climbing toward the goal of making robots appear human, our affinity for them increases until we come to a valley, which I call the uncanny valley.
Later in the essay, Mori describes the uncanny valley by using an example—the first prosthetic hands:
One might say that the prosthetic hand has achieved a degree of resemblance to the human form, perhaps on a par with false teeth. However, when we realize the hand, which at first site looked real, is in fact artificial, we experience an eerie sensation. For example, we could be startled during a handshake by its limp boneless grip together with its texture and coldness. When this happens, we lose our sense of affinity, and the hand becomes uncanny.
In an interview with IEEE Spectrum, Mori explained how he came up with the idea for the uncanny valley:
“Since I was a child, I have never liked looking at wax figures. They looked somewhat creepy to me. At that time, electronic prosthetic hands were being developed, and they triggered in me the same kind of sensation. These experiences had made me start thinking about robots in general, which led me to write that essay. The uncanny valley was my intuition. It was one of my ideas.”
Uncanny Valley Examples
To better illustrate how the uncanny valley works, here are some examples of the phenomenon. Prepare to be freaked out.
1. Telenoid
Photo: Hiroshi Ishiguro/Osaka University/ATR
Taking the top spot in the “creepiest” rankings of IEEE Spectrum’s Robots Guide, Telenoid is a robotic communication device designed by Japanese roboticist Hiroshi Ishiguro. Its bald head, lifeless face, and lack of limbs make it seem more alien than human.
2. Diego-san
Photo: Andrew Oh/Javier Movellan/Calit2
Engineers and roboticists at the University of California San Diego’s Machine Perception Lab developed this robot baby to help parents better communicate with their infants. At 1.2 meters (4 feet) tall and weighing 30 kilograms (66 pounds), Diego-san is a big baby—bigger than an average 1-year-old child.
“Even though the facial expression is sophisticated and intuitive in this infant robot, I still perceive a false smile when I’m expecting the baby to appear happy,” says Angela Tinwell, a senior lecturer at the University of Bolton in the U.K. and author of The Uncanny Valley in Games and Animation. “This, along with a lack of detail in the eyes and forehead, can make the baby appear vacant and creepy, so I would want to avoid those ‘dead eyes’ rather than interacting with Diego-san.”
3. Geminoid HI
Photo: Osaka University/ATR/Kokoro
Another one of Ishiguro’s creations, Geminoid HI is his android replica. He even took hair from his own scalp to put onto his robot twin. Ishiguro says he created Geminoid HI to better understand what it means to be human.
4. Sophia
Photo: Mikhail Tereshchenko/TASS/Getty Images
Designed by David Hanson of Hanson Robotics, Sophia is one of the most famous humanoid robots. Like Soul Machines’ AVA, Sophia displays a range of emotional expressions and is equipped with natural language processing capabilities.
5. Anthropomorphized felines
The uncanny valley doesn’t only happen with robots that adopt a human form. The 2019 live-action versions of the animated film The Lion King and the musical Cats brought the uncanny valley to the forefront of pop culture. To some fans, the photorealistic computer animations of talking lions and singing cats that mimic human movements were just creepy.
Are you feeling that eerie sensation yet?
Uncanny Valley: Science or Pseudoscience?
Despite our continued fascination with the uncanny valley, its validity as a scientific concept is highly debated. The uncanny valley wasn’t actually proposed as a scientific concept, yet has often been criticized in that light.
Mori himself said in his IEEE Spectrum interview that he didn’t explore the concept from a rigorous scientific perspective but as more of a guideline for robot designers:
Pointing out the existence of the uncanny valley was more of a piece of advice from me to people who design robots rather than a scientific statement.
Karl MacDorman, an associate professor of human-computer interaction at Indiana University who has long studied the uncanny valley, interprets the classic graph not as expressing Mori’s theory but as a heuristic for learning the concept and organizing observations.
“I believe his theory is instead expressed by his examples, which show that a mismatch in the human likeness of appearance and touch or appearance and motion can elicit a feeling of eeriness,” MacDorman says. “In my own experiments, I have consistently reproduced this effect within and across sense modalities. For example, a mismatch in the human realism of the features of a face heightens eeriness; a robot with a human voice or a human with a robotic voice is eerie.”
How to Avoid the Uncanny Valley
Unless you intend to create creepy characters or evoke a feeling of unease, you can follow certain design principles to avoid the uncanny valley. “The effect can be reduced by not creating robots or computer-animated characters that combine features on different sides of a boundary—for example, human and nonhuman, living and nonliving, or real and artificial,” MacDorman says.
To make a robot or avatar more realistic and move it beyond the valley, Tinwell says to ensure that a character’s facial expressions match its emotive tones of speech, and that its body movements are responsive and reflect its hypothetical emotional state. Special attention must also be paid to facial elements such as the forehead, eyes, and mouth, which depict the complexities of emotion and thought. “The mouth must be modeled and animated correctly so the character doesn’t appear aggressive or portray a ‘false smile’ when they should be genuinely happy,” she says.
For Christoph Bartneck, an associate professor at the University of Canterbury in New Zealand, the goal is not to avoid the uncanny valley, but to avoid bad character animations or behaviors, stressing the importance of matching the appearance of a robot with its ability. “We’re trained to spot even the slightest divergence from ‘normal’ human movements or behavior,” he says. “Hence, we often fail in creating highly realistic, humanlike characters.”
But he warns that the uncanny valley appears to be more of an uncanny cliff. “We find the likability to increase and then crash once robots become humanlike,” he says. “But we have never observed them ever coming out of the valley. You fall off and that’s it.” Continue reading
Posted in Human Robots