Artificial intelligence will plunge into the universe of molecules in the search for amazing drugs

Date:

2017-11-23 11:00:10

Views:

2553

Rating:

1Like 0Dislike

Share:

Artificial intelligence will plunge into the universe of molecules in the search for amazing drugs Source:

Dark night, away from city lights, the stars of the milky Way seem innumerable. But from any point visible to the naked eye not more than 4500 stars. In our galaxy, they are 100 to 400 billion galaxies in the Universe, and even more. Out in the night sky not as many stars. However, even this number gives us a deep story... of drugs and medicines. The fact that the number of possible organic compounds with medicinal abilities exceeds the number of stars in the Universe by more than 30 orders of magnitude. And chemical configurations that are created by scientists from existing medicines, akin to the stars that we could see in the center of the city by night.

Find all possible drugs — an impossible task for humans, as the study of all physical space, and even if we could, the most part of discovered it would not fit our purposes. However, the idea that a miracle cure may be hiding amidst plenty, too tempting to ignore.

That is why we should use artificial intelligence that will be able to work more and to accelerate the opening. So says Alex Zhavoronkov, speaking at Exponential Medicine, San Diego last week. This application could be the largest AI in medicine.

the

Dogs diagnosis and medications

Lark — CEO of Insilico Medicine and CSO Biogerontology Research Foundation. Insilico is one of many startups developing AI that can accelerate the discovery of new drugs and medicines.

In recent years, said the lark, a well-known technique in machine learning — deep learning — made progress on several fronts. The algorithms are able to play video games — like poker player AlphaGo Zero or Carnegie Mellon — represent the largest object of interest. But the recognition of regularities — that gave a powerful impetus to deep learning, where machine learning algorithms finally began to distinguish cats from dogs and to do it quickly and accurately.

In medicine, algorithms, deep learning, trained on databases of medical images, can detect life-threatening diseases with equal or greater accuracy than specialist human. There is even a possibility that the AI, if we learn to trust him, could be invaluable in the diagnosis of the disease. And like lark said, coming more applications and a track record will only grow.

"the Tesla is already leading the cars on the street," says lark. "Three-and four-year technology already transports passengers from point A to point B at a speed of 200 kilometers an hour; one mistake and you're dead. But people trust their lives to this technology."

"Why not do the same in the pharmaceutical industry?".

the

trial and error again and again

Pharmaceutical research AI does not have to drive a car. He will be an assistant that is paired with a chemist or two will be able to accelerate the discovery of new drugs, looking at more options in finding the best candidates.

A Space for optimization and improving efficiency is just huge, says lark.

Search drugs — a painstaking and expensive business. Chemists screened tens of thousands of possible compounds in search of the most promising. Of these, only some go on to further study and even less will pass the test on the people, and of these all the crumbs are approved for further use.

This Whole process may take many years and cost hundreds of millions of dollars.

This is the problem of big data (big data), and deep learning excels in working with big data. The first application showed that the system AI-based deep learning is able to find the barely visible patterns in huge data samples. Although drug manufacturers are already using software for screening compounds, such software requires clear rules, written by chemists. The advantages of AI in this case is its ability to learn and improve yourself.

"There are two strategies of innovation on the basis of the AI in the pharmaceutical industry, which will provide you the best molecules and the rapid approval," says lark. "One is looking for the needle in the haystack, and the other creates a new needle".

To find a needle in a haystack, the algorithms are trained on large database of molecules. Then they are looking for molecules with the appropriate properties. But to create a new needle? This opportunity is offered on generative adversarial network specializiruetsya larks.

These algorithms put two neural networks against each other. One generates a meaningful result, and the other decides whether the result is true or false, says lark. Collectively, these networks generate new objects such as text, image or, in this case, the molecular structure.

"We started to use this specific technology to deep neural networks imagined new molecules to make it perfect from the start. We need the perfect needle," says lark. "You may refer to this generative adversarial networks and ask her to create molecules that inhibit protein X at concentration Y, with the highest viability, desired characteristics and minimal side effects."

Lark believes that AI can find or produce more of the needles of the many molecular features, the release of the chemical to people so that they can focus on the synthesis of only the most promising. If it works as he hopes, we will be able to increase the number of hits, to minimize mistakes and to speed up the process.

the

in the bag

Insilico not the only one engaged in the search for new ways to create medicines, and this is not a new area of interest. Last year, Harvard published a paper on the topic of AI, which is similarly selects candidates of the drugs. The software was trained on 250 000 drug molecules and used his experience to create new molecules that are mixed existing drugs and made suggestions based on desired properties. However, as noted by MIT Technology Review, the results are not necessarily meaningful or easily synthesized in a lab, and the quality of the results, as always, highly so, how is the quality of the data provided initially.

Stanford Chemistry Professor Vijay Pande said that the images, speech and text — which are currently interested in deep learning — a good and clean data. But chemical data, on the other hand, is still optimized for deep learning. In addition, although public databases exist, most of the data still lives behind closed doors of private companies.

To overcome all obstacles, the company Zhavoronkova focused on validating the technology. But this year, the skepticism in the pharmaceutical industry, it seems, is replaced by interest and investment. Even Google can break into the race.

As of the development of AI and hardware, the greatest potential is still to be discovered. Perhaps one day, all the 1060 molecules in the field of drugs will be at our disposal....

Recommended

Can genes create the perfect diet for you?

Can genes create the perfect diet for you?

Diet on genotype can be a way out for many, but it still has a lot of questions Don't know what to do to lose weight? DNA tests promise to help you with this. They will be able to develop the most individual diet, because for this they will use the m...

How many extraterrestrial civilizations can exist nearby?

How many extraterrestrial civilizations can exist nearby?

If aliens exist, why don't we "hear" them? In the 12th episode of Cosmos, which aired on December 14, 1980, co-author and host Carl Sagan introduced viewers to the same equation of astronomer Frank Drake. Using it, he calculated the potential number ...

Why does the most poisonous plant in the world cause severe pain?

Why does the most poisonous plant in the world cause severe pain?

The pain caused to humans by the Gimpi-gympie plant can drive him crazy Many people consider Australia a very dangerous place full of poisonous creatures. And this is a perfectly correct idea, because this continent literally wants to kill everyone w...

Comments (0)

This article has no comment, be the first!

Add comment

Related News

Scientists have discovered how different types of alcohol affect emotions

Scientists have discovered how different types of alcohol affect emotions

for anybody not a secret that alcohol is directly associated with the emotional state of a person. It lifts the mood, and someone, on the contrary, depressing. Someone liberates alcohol, and someone makes a more aggressive and com...

How to increase the ability of the brain?

How to increase the ability of the brain?

it is Known that with aging, all the reserves in our body are depleted and the organs and tissues gradually start to lose their function. According to numerous studies, after 40 years, the volume of the human brain decreases on av...

Is matter leave the event horizon during the merger of black holes?

Is matter leave the event horizon during the merger of black holes?

as soon As you get to the event horizon of a black hole, you will never leave. There is no speed that you could gain, even the speed of light to allow you to enter. But in General relativity space is curved in the presence of mass...

The Amish have discovered a mutation that overcomes diabetes, and even aging

The Amish have discovered a mutation that overcomes diabetes, and even aging

the Amish, also known as the Amish, — it is a religious community living in several US States and in Canada. The Amish are distinguished by their simplicity of life, dress, and reluctance to adopt most modern technologies an...

The first explosion at Chernobyl was a nuclear, say scientists

The first explosion at Chernobyl was a nuclear, say scientists

the Accident at the Chernobyl NPP occurred on 26 April 1986, has become one of the worst in the history of mankind. Previously it was thought that the explosion at the fourth unit was because in the experiment, the uncontrolled he...

In New Zealand proposed to deal with animal pests by using CRISPR

In New Zealand proposed to deal with animal pests by using CRISPR

the Technology of gene editing CRISPR finds more and more different applications. In New Zealand, for example, decided to get rid of rodents and other pests. Mouse possums, rats and other rodents cause New Zealand a huge financial...

In China want to build a space Shuttle with a nuclear engine

In China want to build a space Shuttle with a nuclear engine

In a new report published by the Chinese Corporation of space science and technology (CASC) is dedicated to the space program of China, contains many ambitious goals that the Corporation aims for the next 20 years. Some of them En...

To predict how will the evolution of people, impossible

To predict how will the evolution of people, impossible

we All know how the Neanderthals looked like: a prominent brow, thick nose, elongated skull, powerful bone structure, and probably red hair and freckled skin. You may look askance at the redheads when they meet in the subway, but ...

Scientists have discovered another promising templatebuy planet

Scientists have discovered another promising templatebuy planet

Just 11 light years from the Solar system astronomers have discovered a new earth-like planet with a climate that can be expected to come to life. It should be noted that after Proxima b is the second closest exoplanet to us to ha...

13 scientifically proven signs that you are smarter than you think

13 scientifically proven signs that you are smarter than you think

Everyone wants to appear more modest. "Who is smart? I? No, I just got lucky..." this is Due, perhaps, primarily because most of us don't want to be the object of attention or someone's prejudice. Of course, there are those who ju...

NASA tested the Mars supersonic parachute

NASA tested the Mars supersonic parachute

the Parachute system ASPIRE that you want to use for the mission Mars 2020, has successfully passed the first . Supersonic «space parachute» developed by engineers at the American space Agency in order to in the future t...

Over 15 thousands of scientists warned everyone about the impending environmental disaster

Over 15 thousands of scientists warned everyone about the impending environmental disaster

In 1992, more than 1,700 of concerned scientists, including the vast majority living at that time, Nobel laureates, published an open letter, appealing to all inhabitants of our planet. The message was simple: if we do not soon ta...

The scientists were able to rejuvenate human cells using conventional products

The scientists were able to rejuvenate human cells using conventional products

according to the publication BMC Cell Biology, a group of British scientists from Exeter University discovered a new method of rejuvenating human cells. Moreover, the substance that makes cells younger — this resveratrol. Th...

10 simple questions to which science has no answer

10 simple questions to which science has no answer

Sometimes it may seem that science was getting close enough to completely solve all mysteries. We have theories about wormhole, dark matter, early Universe and a map that reflects in detail how from the unicellular organism life e...

Scientists have figured out how long microorganisms could survive on Mars

Scientists have figured out how long microorganisms could survive on Mars

Mars is difficult to call a hospitable place. Despite the fact that the daytime temperature at the equator here in the summer can reach 35 degrees Celsius, its average for the planet is about -63 degrees. In this case, the poles a...

Scientists have discovered why elephants don't get cancer

Scientists have discovered why elephants don't get cancer

Elephants and other large animals are rarely sick . This gave scientists the idea that they possess some protective mechanism that protects them from this disease. That's just what the mechanism was not clear until recently. A new...

Bitcoin is not a bubble. And here's why

Bitcoin is not a bubble. And here's why

Many public figures in the traditional financial sector, including JPMorgan CEO Jamie Morgan, have criticized bitcoin, describing it as a bubble. However, because of the decentralized, mathematical and transparent nature to call b...

The extinction of the dinosaurs is only a coincidence

The extinction of the dinosaurs is only a coincidence

Falling to Earth of a meteorite 65 million years ago that caused the death of the dinosaurs, is nothing short of an accident, the probability of which was extremely small. After all, if the place of falling was any other, mass ext...

Poor school performance increases the risk of death in the future

Poor school performance increases the risk of death in the future

"You do not learn – you will not find a normal job." I'm sure many have heard this phrase from their parents. But what if the poor performance may affect our health? It would seem that any connection between health and bad grades ...

Five unexpected and great discoveries of physics

Five unexpected and great discoveries of physics

When you teach the scientific method, you get used to follow a careful procedure to get an idea about a natural phenomenon of our Universe. Start with ideas, experiment, test the idea or disprove it, depending on the result. But i...