What does quantum computers bring drug discovery? To applied search for major overseas companies | Answersnews

Google and IBM are developing and attracting attention as the next -generation accelerator.This technology is applied to the behavior of quantums such as atoms and electrons, so the process is expected to speed up in the field of chemistry and drug discovery.While it is said that it will take decades for the ultimate quantum computer to be realized, the pharmaceutical industry is also embarking on applied exploration mainly among major overseas manufacturers.

Index

1. Apply the nature of quantum
2. Expectations for target search and mechanism understanding
3. BI is collaborated with Google, Biogen is accelerator, etc.
4. Fujitsu utilizes an Easing model for peptide drug discovery

Apply the nature of quantum

Quantum computer is a next -generation accelerator who applies the principle of quantum mechanics to calculate.Computers usually perform multiple programs from input to output of the results, but using an accelerator with powerful calculation capabilities for a specific program can reduce the entire time required for calculation.It is expected.

Quantum computers are roughly divided into "gate -type quantum computers" and "Izing machines (annealing machines)" depending on the operation principle and corresponding tasks.

Gate -type quantum computers are expected to be practical within a few years, "NISQ (NOISY INTERMEDIATE SCALE QUANTUM)", which is expected to be practical for a few years, and it takes decades to put it in practical use.= FTQC (Fault Tolerant Quantum Computer).By correcting the error by noise, "error correction" means that FTQC with this ability is considered "ultimate computer", and theoretically, multiple algorithms will significantly reduce the number of calculation processing steps.It is said that you can.

On the other hand, NISQ, on the other hand, has not proved theoretically speeding up, but has already been used in hardware, and has been used for applications.In July of this year, Japan IBM has been working with Tokyo University and announced that it has started operation of IBM Quantum System One, the first commercial use.Although the amount of information that can be handled is 27 quantum bit (quantum bit = quantum computer information unit), private companies such as academia, chemistry and finance have started research for applications.

In hardware development, in addition to the IBM in the United States, a major tech company such as Google and Microsoft, the United States, has been able to compete in a few years, and an incorrect correction prototype has been completed, and the FTQC that controls 1 million quantum bits around 2030.It is viewed when it appears.

The application of quantum computers is not yet a full -fledged competition, and is a stage of exploring after the realization, so human resource development and ecosystem formation are active across the area.In the Life Science industry, the international non -profit organization of the Pharmaceutical Research and Development Consortium, which is participated by major overseas pharmaceuticals, medical equipment manufacturers, and academia, aims to form an ecosystem.

Expectations for target search and mechanism understanding

"If applied with drug discovery, the impact will be great."At an event held by Life Science Innovation Network Japan (LINK-J) in July, Qunasys (Bunkyo-ku, Tokyo) said:Qunasys is a venture company that develops algorithms and software for quantum computers.

Quantum computers are expected to be applied in fields such as chemistry, drug discovery, and ingredients, and among them, the calculation of the chemical fields is promising for early practical use.Mr. Yang, on the other hand, says, "If you try to handle proteins used for drug discovery, you will need a proper number of bits, so it may take some time (realization)."

Quantum computers are not machines that can speed up any calculations.Since the faster algorithms are limited, it is necessary to know the technology and use the issues well.

Mr. Yang explained that the gate -type quantum computer is "promising to solve the problem of DFT (density panorical function theory), such as photocinology and enzyme reactions in a realistic time.""At least NISQ needs to repeat sampling, so it will take time to calculate. In that sense, applying to the screening of compound candidates is unrealistic," he said, "First of all, the target exploration and the drug (in the living body and chemicals).) He said that contributions in mechanism analysis are expected.Specifically, it is said that ideas for utilization have come out due to light toxicity prediction simulations.

One of the reasons for quantum computers is that power consumption is less than supercomputer (spa tact).Some of the issues that can be speeded up with FTQC are already performed in spa -tasks, such as simulations of materials and fluids, and are not only computations that cannot be solved in a practical time in a spa tap, but also as a substitute for spa identcons.We are also looking for expectations.

BI is collaborated with Google, Biogen is accelerator, etc.

In the pharmaceutical industry, investment on quantum computers, mainly major overseas companies, is accelerating.

Germany Beelinger Ingelheim (BI) announced in January this year to collaborate with Google.Studies have been started for application to molecular dynamics simulation.The BI hopes that using quantum computers can simulate more molecules more accurately than before and use them in drug discovery.The BI has acquired specialized human resources, has set up specialized labs in the company, and will invest in a few years.

Biogen in the United States is a partnership with Accenture, Canada 1Qbit.It has developed a molecular comparison application inspired by quantum computers for neurodetative diseases, and has gained certain results.Amgen in the United States has been working with the US QSIMULATE to consider applying large -scale quantum mechanics calculations developed by the company to drug discovery.The company's method is that it can be executed on the cloud service of quantum computers provided by Amazon, and can apply accurate quantum mechanics on a large scale without approximation calculation.

In addition, German Merck is affiliated with multiple quantum startups, supporting the development of platforms and software that can be expected to be used in the field of drug discovery, chemistry, and materials.Last year, Merck also invested in the U.S. Zapata computing, which develops software for NISQ.Domestic companies are looking for opportunities by Takeda Pharmaceutical Industry, and Chugai and Daiichi Sankyo participate in the Qunasys's application community, QPARC.

Fujitsu utilizes an Easing model for peptide drug discovery

On the other hand, Izing Machine has begun commercial use one step ahead.

The Izing Machine is a machine specializing in processing the combination optimization problem.The combination optimization problem is an issue to explore the best combinations that meet the conditions from enormous options, such as scheduling and delivery plan.In the Izing Machine, an approximate solution can be obtained by defining the purpose function and constraints according to the calculation model called the Izing model.

However, this indicates that power can be obtained by dropping the problem into the Izing model, and Associate Professor Tanaka, Associate Professor of the Department of Physics and Information Engineering, Keio Juku University, who took the LINK-J event.He said that it is important to gain experience in the problem group.

Although it is a non -quantum approach, in the drug discovery field, Fujitsu is promoting specific use of the Izing machine "Digital Anira".Digital Anila is a digital circuit architecture developed exclusively for the combination optimization problem, using quantum computing.The company started collaborating with Peptide Dream in 19 to speed up searching for stable structures with cyclic peptide drugs, and in 20 years in the following year, exploring in about 12 hours by combining with HPC (high performance computing).Was announced that it was realized.The two companies have established a new company in November and are working on early development of new colonovirus treatments.

In order to make the most of the benefits of the Izing machine or a gate -type quantum computer, it is essential for hardware companies, software companies and developers to deepen their cooperation."We are a physical shop. There is a gap in how it can be used indoors. I want to get an idea and make it together," says Yang."Quantum (quantum)" also means "dramatic".Literally bringing a dramatic progress to drug discovery depends on whether the tech company and the pharmaceutical industry can hold your hands.

Answersnews editorial department reports pharmaceutical companies

・ Takeda Pharmaceutical Industry, Daiichi Sankyo, Chugai Pharmaceutical

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