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Beyond performance: how design choices shape chemical language models [PDF]

open access: yesJournal of Cheminformatics
Chemical language models (CLMs) have shown strong performance in molecular property prediction and generation tasks. However, the impact of design choices, such as molecular representation format, tokenization strategy, and model architecture, on both ...
Inken Fender   +2 more
doaj   +2 more sources

Evaluation of mental models of prospective science teachers on chemical reactions [PDF]

open access: yesJournal of Pedagogical Research, 2021
The aim of this study is to examine prospective science teachers' (PSTs) mental models and meanings for the concept of chemical reaction. For this purpose, this study adopted a phenomenological research design including 48 PSTs.
Volkan Bilir, Sedat Karaçam
doaj   +1 more source

Cultivation and Imaging of S. latissima Embryo Monolayered Cell Sheets Inside Microfluidic Devices

open access: yesBioengineering, 2022
The culturing and investigation of individual marine specimens in lab environments is crucial to further our understanding of this highly complex ecosystem.
Thomas Clerc   +5 more
doaj   +1 more source

Comparative Analysis of the Adequacy of Different Models for Description of the Spectroscopic Properties of Laser Materials Doped with Trivalent Erbium and Thulium Ions

open access: yesVestnik of Vitebsk State Technological University, 2023
The purpose of this work is to determine the most adequate model for describing the experimental values of the intensities of the absorption bands of laser materials activated by trivalent erbium and thulium ions.
Alexey Kornienko   +3 more
doaj   +1 more source

ZSCAN4 interacts with PARP1 to promote DNA repair in mouse embryonic stem cells

open access: yesCell & Bioscience, 2023
Background In eukaryotic cells, DNA double strand breaks (DSB) are primarily repaired by canonical non-homologous end joining (c-NHEJ), homologous recombination (HR) and alternative NHEJ (alt-NHEJ).
Li-Kuang Tsai   +8 more
doaj   +1 more source

Lipid Profiles of the Heads of Four Shrimp Species by UPLC–Q–Exactive Orbitrap/MS and Their Cardiovascular Activities

open access: yesMolecules, 2022
Lipids are key factors in nutrition, structural function, metabolic features, and other biological functions. In this study, the lipids from the heads of four species of shrimp (Fenneropenaeus chinensis (FC), Penaeus japonicus (PJ), Penaeus vannamei (PV),
Yongqiang Zhu   +10 more
doaj   +1 more source

Reduced-Precision Chemical Kinetics in Atmospheric Models

open access: yesAtmosphere, 2022
Modelling atmospheric composition and climate change on the global scale remains a great scientific challenge. Earth system models spend up to 85% of their total required computational resources on the integration of atmospheric chemical kinetics.
Kyriacos Sophocleous   +1 more
doaj   +1 more source

Modelling the Chemical Evolution [PDF]

open access: yesProceedings of the International Astronomical Union, 2009
AbstractAdvanced observational facilities allow to trace back the chemical evolution of the Universe, on the one hand, from local objects of different ages and, secondly, by direct observations of redshifted objects. The chemical enrichment serves as one of the cornerstones of cosmological evolution.
Recchi, Simone, Hensler, Gerhard
openaire   +3 more sources

A Novel Modelling Process in Chemistry: Merging Biological and Mathematical Perspectives to Develop Modelling Competences

open access: yesEducation Sciences, 2021
Models are essential in science and therefore in scientific literacy. Therefore, pupils need to attain competency in the appropriate use of models. This so-called model–methodical competence distinguishes between model competence (the conceptual part ...
Vanessa Lang   +4 more
doaj   +1 more source

Standardizing chemical compounds with language models

open access: yesMachine Learning: Science and Technology, 2023
With the growing amount of chemical data stored digitally, it has become crucial to represent chemical compounds accurately and consistently. Harmonized representations facilitate the extraction of insightful information from datasets, and are ...
Miruna T Cretu   +5 more
doaj   +1 more source

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