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Abstract Generative artificial intelligence is reshaping how researchers discover protein-binding compounds and develop them into drug candidates. Unlike traditional methods that screen existing molecules, structure-base...

In recent years, convolutional neural networks and deep neural networks have been used extensively in various fields of analytical chemistry. The use of these models for calibration tasks has been highly effective; howev...

The global transition to sustainable energy systems requires breakthroughs in electrochemical storage technologies that are not only safe but also resource efficient. Solid-state batteries (SSBs), which use superionic so...

The opening phase of a lesson can strongly influence students’ readiness to learn, yet teachers often receive limited, delayed feedback on the quality of this phase. This study examines which opening-lesson features ar...

Abstract Generative deep learning models have demonstrated significant potential in designing drug-like molecules. However, medicinal chemistry typically requires generating analogues that combine structural similarity w...

Teaching chemistry on the topic of atomic structure still faces challenges due to its abstract nature and the limitations of teaching materials in visualizing the concept. The use of Assemblr Edu, which provides interact...

Students in A-Level and IB, and similar high-school curricula are expected to understand nucleophilic substitution mechanisms (SN1 and SN2), yet many rely on memorization because curricula do not provide a conceptual bri...

This study aims to examine the singing method as a learning strategy to improve the numeracy skills of grade 1 students at SB AMI Penang, Malaysia. This research uses a qualitative method with a case study approach whose...

Science shows, such as chemical Christmas lectures, are a 200-year-old tradition in science communication. While their entertainment value is evident, their educational impact remains less understood. This study examines...

There is a wealth of structural data on peptides that bind potential drug targets, serving as rich inspiration for designing small molecule inhibitors which can recapitulate key binding interactions while improving pharm...

Human evaluations of machine translation are extensive but expensive. Human evaluations can take months to finish and involve human labor that can not be reused. We propose a method of automatic machine translation evalu...

An attentional mechanism has lately been used to improve neural machine translation (NMT) by selectively focusing on parts of the source sentence during translation. However, there has been little work exploring useful a...

Materias / palabras clave: Robustness (evolution); Mathematics; Artificial intelligence; Computer science; Algorithm; Machine learning; Kernel (algebra); Decision tree; Tree (set theory); Pattern recognition (psychology); Mathematical analysis; Ch...

The caret package, short for classification and regression training, contains numerous tools for developing predictive models using the rich set of models available in R. The package focuses on simplifying model training...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of gr...

Materias / palabras clave: artificial intelligence, machine learning and deep learning, materials discovery and design, drug discovery and design, energy science, computational chemistry; Science: Chemistry; Science: Mathematics: Instruments and m...

Materias / palabras clave: education, pedagogy, teaching, learning, educational research, dissemination; Education: Education (General)

Materias / palabras clave: chemistry education, teaching chemistry, evaluation in chemistry education, learning chemistry, content analysis of chemistry books; Education: Special aspects of education

Materias / palabras clave: sequencing technologies, genome editing and genome engineering, imaging technologies, single-molecule methods, computational methods, machine learning; Technology: Chemical technology: Biotechnology; Science: Chemistry: ...

Materias / palabras clave: chemistry, education, analytical chemistry, chemistry education, chemistry teaching, chemistry learning; Social Sciences

Materias / palabras clave: machine learning, automation, artificial intelligence, chemistry, robotics, chemoinformatics; Science: Mathematics: Instruments and machines: Electronic computers. Computer science; Science: Chemistry

Materias / palabras clave: science education, biology education, physics education, chemistry education, science learning; Education: Theory and practice of education; Science

Materias / palabras clave: chemistry learning, biology learning, physics learning, natural sciences learning, environmental-based learning; Education: Theory and practice of education; Science