ENHANCING PROPERTY AND ACTIVITY PREDICTION AND INTERPRETATION USING MULTIPLE MOLECULAR GRAPH REPRESENTATIONS WITH MMGX

Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX

Abstract Graph Neural Networks (GNNs) excel in compound property and activity prediction, but the choice of molecular graph representations significantly influences model learning and interpretation.While atom-level molecular graphs resemble natural topology, they overlook key substructures or functional groups and their interpretation partially al

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The effect of the addition of propolis to resin-modified glass ionomer cement bracket adhesive materials on the growth inhibition zone of Streptococcus mutans [version 2; peer review: 2 approved]

Background: Orthodontic treatments progress alongside the development of adhesive materials.The present study aimed to determine the antibacterial properties of propolis, a natural product, in a mixture of resin-modified glass ionomer Hair Bleaching Cream cement by observing the growth inhibition zone of Streptococcus mutans.Methods: This was an in

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RESEARCH AND PRACTICE OF THE NEWS MAP COMPILATION SERVICE

Based on the needs of the news media on the map, this paper researches on the news map compilation service, conducts demand research on the Bed Pans service of compiling news maps, designs and compiles the public authority base map suitable for media publication, and constructs the news base map material library.It studies the compilation of domest

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‘It all depends on the pupils’: A survey study of classical instrumental music teachers’ perceptions of group teaching in Sweden

This study considers perceptions of group teaching among classical instrumental music teachers in Swedish art and music schools.Quantitative and qualitative data were collected using a survey of music teachers in a region of Sweden and vibrating-nipple-toys analysed using a mixed methods approach.Communities of practice and communities of musical p

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