Machine learning model helps characterize compounds for drug discovery

chemical
Credit: CC0 Public Domain

Tandem mass spectrometry is a powerful analytical tool used to characterize complex mixtures in drug discovery and other fields.


Now, Purdue University innovators have created a new method of applying machine learning concepts to the tandem mass spectrometry process to improve the flow of information in the development of new drugs. Their work is published in Chemical Science.

“Mass spectrometry plays an integral role in drug discovery and development,” said Gaurav Chopra, an assistant professor of analytical and physical chemistry in Purdue’s College of Science. “The specific implementation of bootstrapped machine learning with a small amount of positive and negative training data presented here will pave the way for becoming mainstream in day-to-day activities of automating characterization of compounds by chemists.”

Chopra said there are two major problems in the field of machine learning used for chemical sciences. Methods used do not provide chemical understanding

Read More
Read More

Tesla Model X Range Increased?

While most of the attention on Tesla’s vehicle lineup today was on the Model S due to a $3,000 price cut, there may be an interesting development happening for the Model X as well. Tesla Motors Club forum member ColdWeatherEV recently took delivery of a brand new Model X and shared some details about the vehicle in a post on the forum.

“I just took delivery of a 2021 Model X, VIN 308XXX, and I was surprised to see that the EPA Monroney sticker lists the range at 371 miles,” writes the user. The Monroney sticker is a required label in the US for all new vehicles and contains official information about the car.

On Tesla’s website, the currently-listed EPA range for the Long Range Plus Model X is just 351 miles, 20 miles lower than the range listed on the Monroney sticker of this new delivery. While this is

Read More
Read More

RUDN University mathematician refined the model of predator-prey relations in the wild

IMAGE

IMAGE: The traditional mathematical model of predator-prey relations in the wild does not take into account indirect nonlocal interactions. However, according to a mathematician from RUDN University, they affect the dynamics…
view more 

Credit: RUDN University

The traditional mathematical model of predator-prey relations in the wild does not take into account indirect nonlocal interactions. However, according to a mathematician from RUDN University, they affect the dynamics of predators and prey in a system, and the nature of this effect is sensitive to the initial conditions. An article about his work was published in the Communications in Nonlinear Science and Numerical Simulation journal.

Ecologists use mathematical models of ecosystems to understand their structure and predict their development. Predator-prey is one of the basic models of this kind. With its help scientists can for instance calculate changes in the numbers of carnivores and herbivores depending on numerous conditions: the breeding of the

Read More
Read More

New 3-D model of a DNA-regulating complex in human cells provides cancer clues — ScienceDaily

Scientists have created an unprecedented 3-dimensional structural model of a key molecular “machine” known as the BAF complex, which modifies DNA architecture and is frequently mutated in cancer and some other diseases. The researchers, led by Cigall Kadoch, PhD, of Dana-Farber Cancer Institute, have reported the first 3-D structural “picture” of BAF complexes purified directly from human cells in their native states — rather than artificially synthesized in the laboratory -providing an opportunity to spatially map thousands of cancer-associated mutations to specific locations within the complex.

“A 3-D structural model, or ‘picture,’ of how this complex actually looks inside the nucleus of our cells has remained elusive — until now,” says Kadoch. The newly obtained model represents “the most complete picture of the human BAF complex achieved to date,” said the investigators, reporting in the journal Cell.

These new findings “provide a critical foundation for understanding human disease-associated mutations

Read More
Read More

Mathematician refines model of predator-prey relations in the wild

RUDN University mathematician refined the model of predator-prey relations in the wild
The traditional mathematical model of predator-prey relations in the wild does not take into account indirect nonlocal interactions. However, according to a mathematician from RUDN University, they affect the dynamics of predators and prey in a system, and the nature of this effect is sensitive to the initial conditions. Credit: RUDN University

The traditional mathematical model of predator-prey relations in the wild does not take into account indirect nonlocal interactions. However, according to a mathematician from RUDN University, they affect the dynamics of predators and prey in a system, and the nature of this effect is sensitive to the initial conditions. An article about his work was published in the Communications in Nonlinear Science and Numerical Simulation journal.


Ecologists use mathematical models of ecosystems to understand their structure and predict their development. Predator-prey is one of the basic models of this kind. With its help scientists can for instance calculate

Read More
Read More

Aroostook County, Maine, is home to the largest 3D model of the solar system in the Western Hemisphere

Aroostook County, Maine, is home to the largest 3D model of the solar system in the Western Hemisphere

US News and World Report recently named Aroostook’s Maine School of Science and Mathematics one of the best high schools in the country and if this has your inner science nerd excited, watch a local scientist lead us on a tour of the solar system.


Hide Transcript
Show Transcript

MATHEMATICS HELPS IT SHINE. >> MORE FROM THE JUST HOW FAR IS IT FILE. FOLKS LIVING IN PRESQUE ISLE, AROOSTOOK’S BIGGEST TOWN, ARE FARTHER NORTH THAN HALF OF ALL CANADIANS, THE MAJORITY OF WHOM LIVE ALONG CANADA’S SOUTHERN BORDER. A PUBLIC HIGH SCHOOL WOULD SEEM AN UNLIKELY CANDIDATE FOR NATIONAL ACCLAIM. MAIN SCHOOL OF SCIENCE AND MATHEMATICS. RANKED THE SECOND BEST PUBLIC HIGH SCHOOL IN THE COUNTRY BY U.S. NEWS & WORLD REPORT. >> YOU’VE GOT

Read More
Read More

Scientists develop new land surface model to monitor global river water environment

yangtze river
Credit: CC0 Public Domain

Climate change and human activities, including heat emission, nitrogen (N) emission and water management, are altering the hydrothermal condition and N transport in the soil and river systems, thereby affecting the global nitrogen cycle and water environment.


“We need to assess the impacts of these human activities on global river temperature and riverine N transport,” said Prof. Xie Zhenghui from the Institute of Atmospheric Physics of the Chinese Academy of Sciences. “Quantitative assessment can not only improve our understanding of the material and energy cycle that occur in response to anthropogenic disturbances, but also contribute to protecting river ecosystems.”

Xie and his collaborators from the Chinese Academy of Sciences incorporated the schemes of riverine dissolved inorganic nitrogen (DIN) transport, river water temperature, and human activity into a land surface model, and thus developed a land surface model CAS-LSM. They applied the model to explore the impacts

Read More
Read More

Mid-sized ‘iPhone 12’ predicted to be best-selling model, says Ming-Chi Kuo

Apple will sell more units of the “iPhone 12” than any other from the 2020 refresh, according to TF Securities’ analyst Ming-Chi Kuo, with the 6.1-inch model expected to make up around 40% of shipments at launch.

Two days ahead of Apple’s “Hi, Speed” event, where it is anticipated to launch four new models of iPhone, analyst Ming-Chi Kuo has offered predictions for the new models in a note to investors. According to Kuo, the standard “iPhone 12” will be the highest-selling of the four.

Kuo’s shipment predictions put the other three models, the “iPhone 12 mini,” the “iPhone 12 Pro,” and the “iPhone 12 Pro Max” at having a 20% allocation each of total shipments. The remainder, 40%, would be allocated to the “iPhone 12” by default.

In the note, seen by AppleInsider, Kuo believes the compact 5.4-inch “iPhone 12 mini” will be the cheapest

Read More
Read More

Tesla Model 3 Price Too High? Dirt-Cheap Used Electric Cars Can Be Good Deals

The used EV has arrived.

It was only nine years ago that the first won’t-break-the-bank electric cars arrived.

Those non-Tesla EVs — like the Nissan Leaf and Chevy Volt — weren’t priced at $80,000 like the Model S and the first- and second- generations of those cars have been hitting the used car market over the last several years.

And with a Long Range 2020 Tesla Model 3 starting at about $47,000, “dirt cheap” for an EV is anything under $20,000.

A couple of the better sites for used EVs are MYEV and CarGurus.

Most of the used EVs cited below are first- and second-generation electrics that were sold roughly between 2011 and 2017.

Note: all prices are based on a used vehicle

Read More
Read More

Make cash on your old device before buying new model

CLOSE

According to Decluttr, current iPhone models are estimated to drop 15% in value, on average, within the first month of the iPhone 12 launch.

USA TODAY

Tempted to upgrade to a shiny new iPhone, expected to be unveiled next week?

You’re not alone – especially since it will be the first 5G-ready iPhone.

The iPhone 12 family will take advantage of emerging fifth-generation cellular networks, which offer much faster data speeds in select markets, among other benefits.

What’s more, Apple will likely add a Touch ID sensor to the side of the new iPhone – as the company just introduced in its new iPad Air – making it easier to log on and buy things while wearing a face mask.

And to make an upgrade even more enticing, many mobile providers and retailers are offering a trade-in incentive, and several sites want to buy your old tech. After all,

Read More
Read More