Tag Archives: lab
#431559 Drug Discovery AI to Scour a Universe of ...
On a dark night, away from city lights, the stars of the Milky Way can seem uncountable. Yet from any given location no more than 4,500 are visible to the naked eye. Meanwhile, our galaxy has 100–400 billion stars, and there are even more galaxies in the universe.
The numbers of the night sky are humbling. And they give us a deep perspective…on drugs.
Yes, this includes wow-the-stars-are-freaking-amazing-tonight drugs, but also the kinds of drugs that make us well again when we’re sick. The number of possible organic compounds with “drug-like” properties dwarfs the number of stars in the universe by over 30 orders of magnitude.
Next to this multiverse of possibility, the chemical configurations scientists have made into actual medicines are like the smattering of stars you’d glimpse downtown.
But for good reason.
Exploring all that potential drug-space is as humanly impossible as exploring all of physical space, and even if we could, most of what we’d find wouldn’t fit our purposes. Still, the idea that wonder drugs must surely lurk amid the multitudes is too tantalizing to ignore.
Which is why, Alex Zhavoronkov said at Singularity University’s Exponential Medicine in San Diego last week, we should use artificial intelligence to do more of the legwork and speed discovery. This, he said, could be one of the next big medical applications for AI.
Dogs, Diagnosis, and Drugs
Zhavoronkov is CEO of Insilico Medicine and CSO of the Biogerontology Research Foundation. Insilico is one of a number of AI startups aiming to accelerate drug discovery with AI.
In recent years, Zhavoronkov said, the now-famous machine learning technique, deep learning, has made progress on a number of fronts. Algorithms that can teach themselves to play games—like DeepMind’s AlphaGo Zero or Carnegie Mellon’s poker playing AI—are perhaps the most headline-grabbing of the bunch. But pattern recognition was the thing that kicked deep learning into overdrive early on, when machine learning algorithms went from struggling to tell dogs and cats apart to outperforming their peers and then their makers in quick succession.
[Watch this video for an AI update from Neil Jacobstein, chair of Artificial Intelligence and Robotics at Singularity University.]
In medicine, deep learning algorithms trained on databases of medical images can spot life-threatening disease with equal or greater accuracy than human professionals. There’s even speculation that AI, if we learn to trust it, could be invaluable in diagnosing disease. And, as Zhavoronkov noted, with more applications and a longer track record that trust is coming.
“Tesla is already putting cars on the street,” Zhavoronkov said. “Three-year, four-year-old technology is already carrying passengers from point A to point B, at 100 miles an hour, and one mistake and you’re dead. But people are trusting their lives to this technology.”
“So, why don’t we do it in pharma?”
Trial and Error and Try Again
AI wouldn’t drive the car in pharmaceutical research. It’d be an assistant that, when paired with a chemist or two, could fast-track discovery by screening more possibilities for better candidates.
There’s plenty of room to make things more efficient, according to Zhavoronkov.
Drug discovery is arduous and expensive. Chemists sift tens of thousands of candidate compounds for the most promising to synthesize. Of these, a handful will go on to further research, fewer will make it to human clinical trials, and a fraction of those will be approved.
The whole process can take many years and cost hundreds of millions of dollars.
This is a big data problem if ever there was one, and deep learning thrives on big data. Early applications have shown their worth unearthing subtle patterns in huge training databases. Although drug-makers already use software to sift compounds, such software requires explicit rules written by chemists. AI’s allure is its ability to learn and improve on its own.
“There are two strategies for AI-driven innovation in pharma to ensure you get better molecules and much faster approvals,” Zhavoronkov said. “One is looking for the needle in the haystack, and another one is creating a new needle.”
To find the needle in the haystack, algorithms are trained on large databases of molecules. Then they go looking for molecules with attractive properties. But creating a new needle? That’s a possibility enabled by the generative adversarial networks Zhavoronkov specializes in.
Such algorithms pit two neural networks against each other. One generates meaningful output while the other judges whether this output is true or false, Zhavoronkov said. Together, the networks generate new objects like text, images, or in this case, molecular structures.
“We started employing this particular technology to make deep neural networks imagine new molecules, to make it perfect right from the start. So, to come up with really perfect needles,” Zhavoronkov said. “[You] can essentially go to this [generative adversarial network] and ask it to create molecules that inhibit protein X at concentration Y, with the highest viability, specific characteristics, and minimal side effects.”
Zhavoronkov believes AI can find or fabricate more needles from the array of molecular possibilities, freeing human chemists to focus on synthesizing only the most promising. If it works, he hopes we can increase hits, minimize misses, and generally speed the process up.
Proof’s in the Pudding
Insilico isn’t alone on its drug-discovery quest, nor is it a brand new area of interest.
Last year, a Harvard group published a paper on an AI that similarly suggests drug candidates. The software trained on 250,000 drug-like molecules and used its experience to generate new molecules that blended existing drugs and made suggestions based on desired properties.
An MIT Technology Review article on the subject highlighted a few of the challenges such systems may still face. The results returned aren’t always meaningful or easy to synthesize in the lab, and the quality of these results, as always, is only as good as the data dined upon.
Stanford chemistry professor and Andreesen Horowitz partner, Vijay Pande, said that images, speech, and text—three of the areas deep learning’s made quick strides in—have better, cleaner data. Chemical data, on the other hand, is still being optimized for deep learning. Also, while there are public databases, much data still lives behind closed doors at private companies.
To overcome the challenges and prove their worth, Zhavoronkov said, his company is very focused on validating the tech. But this year, skepticism in the pharmaceutical industry seems to be easing into interest and investment.
AI drug discovery startup Exscientia inked a deal with Sanofi for $280 million and GlaxoSmithKline for $42 million. Insilico is also partnering with GlaxoSmithKline, and Numerate is working with Takeda Pharmaceutical. Even Google may jump in. According to an article in Nature outlining the field, the firm’s deep learning project, Google Brain, is growing its biosciences team, and industry watchers wouldn’t be surprised to see them target drug discovery.
With AI and the hardware running it advancing rapidly, the greatest potential may yet be ahead. Perhaps, one day, all 1060 molecules in drug-space will be at our disposal. “You should take all the data you have, build n new models, and search as much of that 1060 as possible” before every decision you make, Brandon Allgood, CTO at Numerate, told Nature.
Today’s projects need to live up to their promises, of course, but Zhavoronkov believes AI will have a big impact in the coming years, and now’s the time to integrate it. “If you are working for a pharma company, and you’re still thinking, ‘Okay, where is the proof?’ Once there is a proof, and once you can see it to believe it—it’s going to be too late,” he said.
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#431110 Soft robotics: self-contained soft ...
Researchers at Columbia Engineering have solved a long-standing issue in the creation of untethered soft robots whose actions and movements can help mimic natural biological systems. A group in the Creative Machines lab led by Hod Lipson, professor of mechanical engineering, has developed a 3D-printable synthetic soft muscle, a one-of-a-kind artificial active tissue with intrinsic expansion ability that does not require an external compressor or high voltage equipment as previous muscles required. The new material has a strain density (expansion per gram) that is 15 times larger than natural muscle, and can lift 1000 times its own weight. Continue reading
#430874 12 Companies That Are Making the World a ...
The Singularity University Global Summit in San Francisco this week brought brilliant minds together from all over the world to share a passion for using science and technology to solve the world’s most pressing challenges.
Solving these challenges means ensuring basic needs are met for all people. It means improving quality of life and mitigating future risks both to people and the planet.
To recognize organizations doing outstanding work in these fields, SU holds the Global Grand Challenge Awards. Three participating organizations are selected in each of 12 different tracks and featured at the summit’s EXPO. The ones found to have the most potential to positively impact one billion people are selected as the track winners.
Here’s a list of the companies recognized this year, along with some details about the great work they’re doing.
Global Grand Challenge Awards winners at Singularity University’s Global Summit in San Francisco.
Disaster Resilience
LuminAID makes portable lanterns that can provide 24 hours of light on 10 hours of solar charging. The lanterns came from a project to assist post-earthquake relief efforts in Haiti, when the product’s creators considered the dangerous conditions at night in the tent cities and realized light was a critical need. The lights have been used in more than 100 countries and after disasters, including Hurricane Sandy, Typhoon Haiyan, and the earthquakes in Nepal.
Environment
BreezoMeter uses big data and machine learning to deliver accurate air quality information in real time. Users can see pollution details as localized as a single city block, and data is impacted by real-time traffic. Forecasting is also available, with air pollution information available up to four days ahead of time, or several years in the past.
Food
Aspire Food Group believes insects are the protein of the future, and that technology has the power to bring the tradition of eating insects that exists in many countries and cultures to the rest of the world. The company uses technologies like robotics and automated data collection to farm insects that have the protein quality of meat and the environmental footprint of plants.
Energy
Rafiki Power acts as a rural utility company, building decentralized energy solutions in regions that lack basic services like running water and electricity. The company’s renewable hybrid systems are packed and standardized in recycled 20-foot shipping containers, and they’re currently powering over 700 household and business clients in rural Tanzania.
Governance
MakeSense is an international community that brings together people in 128 cities across the world to help social entrepreneurs solve challenges in areas like education, health, food, and environment. Social entrepreneurs post their projects and submit challenges to the community, then participants organize workshops to mobilize and generate innovative solutions to help the projects grow.
Health
Unima developed a fast and low-cost diagnostic and disease surveillance tool for infectious diseases. The tool allows health professionals to diagnose diseases at the point of care, in less than 15 minutes, without the use of any lab equipment. A drop of the patient’s blood is put on a diagnostic paper, where the antibody generates a visual reaction when in contact with the biomarkers in the sample. The result is evaluated by taking a photo with an app in a smartphone, which uses image processing, artificial intelligence and machine learning.
Prosperity
Egalite helps people with disabilities enter the labor market, and helps companies develop best practices for inclusion of the disabled. Egalite’s founders are passionate about the potential of people with disabilities and the return companies get when they invest in that potential.
Learning
Iris.AI is an artificial intelligence system that reads scientific paper abstracts and extracts key concepts for users, presenting concepts visually and allowing users to navigate a topic across disciplines. Since its launch, Iris.AI has read 30 million research paper abstracts and more than 2,000 TED talks. The AI uses a neural net and deep learning technology to continuously improve its output.
Security
Hala Systems, Inc. is a social enterprise focused on developing technology-driven solutions to the world’s toughest humanitarian challenges. Hala is currently focused on civilian protection, accountability, and the prevention of violent extremism before, during, and after conflict. Ultimately, Hala aims to transform the nature of civilian defense during warfare, as well as to reduce casualties and trauma during post-conflict recovery, natural disasters, and other major crises.
Shelter
Billion Bricks designs and provides shelter and infrastructure solutions for the homeless. The company’s housing solutions are scalable, sustainable, and able to create opportunities for communities to emerge from poverty. Their approach empowers communities to replicate the solutions on their own, reducing dependency on support and creating ownership and pride.
Space
Tellus Labs uses satellite data to tackle challenges like food security, water scarcity, and sustainable urban and industrial systems, and drive meaningful change. The company built a planetary-scale model of all 170 million acres of US corn and soy crops to more accurately forecast yields and help stabilize the market fluctuations that accompany the USDA’s monthly forecasts.
Water
Loowatt designed a toilet that uses a patented sealing technology to contain human waste within biodegradable film. The toilet is designed for linking to anaerobic digestion technology to provide a source of biogas for cooking, electricity, and other applications, creating the opportunity to offset capital costs with energy production.
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