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Machine learning model helps characterize compounds for drug discovery

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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 of the decisions that are made by the algorithm, and new methods are not typically used to do blind experimental tests to see if the proposed models are accurate for use in a chemical laboratory.

“We have addressed both of these items for a methodology that is isomer selective and extremely useful in chemical sciences to characterize complex mixtures, identify chemical reactions and drug metabolites, and in fields such as proteomics and metabolomics,” Chopra said.

The Purdue researchers created statistically robust machine learning models to work with less training data—a technique that will be useful for drug discovery. The model looks at a common neutral reagent—called 2-methoxypropene (MOP) – and predicts how compounds will interact with MOP in a tandem mass spectrometer in order to obtain structural information for the compounds.

“This is the first time that machine learning has been coupled with diagnostic gas-phase ion-molecule reactions, and it is

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Nearly 1 in 3 Oregon students learning in-person attend private schools, election 2020 preview: The week in education

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An Oregonian/OregonLive analysis of state education data found that 30% of students who attended in-person classes the week of Sept. 28-Oct. 2 are enrolled in private schools.

All told, 550 Oregon schools offered some form of in-person instruction that week, teaching some 46,000 students. One hundred and seventy of those schools are private and taught 13,000 students in-person, state Department of Education figures show.

That means 6% of the state’s 560,000 K-12 students visited a classroom last week. The share of private students in the overall population is about 2%.

In order for school districts to allow in-person instruction, the county they’re in must meet specific coronavirus set by the state. If a district or school draws 10% or more of its workforce or enrollment from more than one county, both must meet the metrics in order for the district to open its classrooms.

That’s the case in Portland Public Schools, where district officials this week say their reopening fortunes are tied to coronavirus metrics in Multnomah, Clackamas and Washington counties. Officials there don’t expect students to see the inside of a classroom until late January at the earliest.

Here are some of the other major education stories from this week:

Education stories from the Portland area:

Most Portland voters will see a pair of education-related tax measures on the ballot next month, one of them a $1.2 billion campaign from the state’s largest district to update a high school in a historically black neighborhood and another to fund free preschool for all Multnomah County children ages 3 and 4.

The Portland Public Schools measure would pay for extensive renovations to Jefferson High School, as well as accessibility throughout the district and investments in curriculum and technology. You can read the full details of the measure here.

The preschool measure,

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BBC Learning English – US Elections 2020 Vocabulary / Electoral College

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E – Electoral College

Definition: 

In the US election, voters do not vote directly for the president but for members of the electoral college who are then expected to vote directly for the president based on vote numbers.

More:

A president is decided not by who has received the most votes from voters (known as the popular vote) but by who receives the most votes from the electoral college.

Examples:

‘They are technically voting for 538 electors who, according to the system laid out by the Constitution, meet in their respective states and vote for President and Vice President. These people, the electors, comprise the Electoral College, and their votes are then counted by the President of the Senate in a joint session of Congress.’

CNN, 2020

‘People view issues differently when it affects their neighbors and community. In urban America, where the popular vote would be paramount without an Electoral College, many voters don’t know military service members, farmers or energy workers’

Fox News, 2019

‘Each state has a number of electors in the electoral college proportionate to its population: the sum of its number of senators (always two) and representatives in the House.’

BBC News, 2016

Source Article

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Mondly Partners with Oxford University Press to Introduce An Enhanced English Language Learning Module Supporting 33 Languages

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BRASOV, Romania, Oct. 8, 2020 /PRNewswire/ — Mondly, one of the world’s leading online language platforms, and Oxford University Press (OUP), the world’s largest university press, today announce a new suite of custom English progress tests via the Mondly app.

Mondly partners with Oxford University Press to introduce custom English learning and assessment module (PRNewsfoto/Mondly)
Mondly partners with Oxford University Press to introduce custom English learning and assessment module (PRNewsfoto/Mondly)

The collaboration between Mondly and OUP enables English language learning, assessment, and testing in 33 languages, including less common languages like Danish, Persian, or Hebrew. The new module offers easily accessible learning support with access to 3,500+ different questions and 108 different English language progress tests for each of the languages included in the partnership.

As part of this module, Mondly will now have lessons based on Oxford Practice Grammar tests and the Oxford 3000, and that are aligned to the Common European Framework of Reference for Languages (CEFR) for reporting at levels B2, B1, and A2. These tests are based on CEFR guidelines and integrated into Mondly’s pre-existing topics.

“We’re very excited to partner with OUP to offer content and testing from their world-renowned English-learning resources,” said Mondly CEO, Alexandru Iliescu. “There are over 1.5 billion people around the world currently learning English, including over 25-percent of our users. Mondly and OUP are the ideal team to comprehensively support and enable their learning journey.”

“We’re delighted to collaborate with Mondly, who have been pursuing innovative solutions for language learning for several years,” said Harry Cunningham, Partnerships and Innovation Manager at Oxford University Press. “Improving education around the world, and working alongside partners by providing our leading expert content to help more learners access the resources they need, is fundamental to achieving our mission.”

For more information, visit https://www.mondly.com.

Mondly Press Kit

About Mondly

Mondly is a leading online language

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New Course from ChildCare Education Institute on Art in Early Learning

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Atlanta, GA, Oct. 08, 2020 (GLOBE NEWSWIRE) — ChildCare Education Institute® (CCEI), an online child care training provider dedicated exclusively to the early care and education workforce, is proud to introduce CUR126: Art in Early Learning to the online child care training course catalog.

There is a common phrase, “It′s the process, not the product.” This means that children can explore the materials in the art center and simply enjoy what happens. For young children, the process of creating is more important than the product they develop.  Young children are very creative and enjoy using different materials to express their ideas.  As children pound on clay, dab paint on paper, glue things together, or scribble with crayons, they begin to understand their world and how to control the tools they use.  Playing with a basic material like modeling clay holds a child’s interest, lengthening their attention span while allowing the child to examine, resolve, and clarify the ideas and concepts they are acquiring.

In the art center, children learn to express their feelings through the use of colors or materials that match their mood.  Children also learn to share and cooperate with others as they work together in small groups and negotiate for materials and supplies.  Art centers designed for young children should include the raw materials for creativity, and the opportunity to choose media and materials that fit the child’s mood.  The art center provides numerous opportunities to enhance a child’s self-esteem, attitude about work and play, and social skills.  Creative experiences for young children should be inviting, promote the expression of feelings, encourage children to explore properties of materials, and cultivate imagination.

Teachers should stress to children that their experience in the art center is more important than what they make to take home. This is accomplished

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