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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.
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Posted in Human Robots
#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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Posted in Human Robots