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Bioactivity assessment of natural compounds using machine learning models trained on target similarity between drugs

• Authors : Periwal, Vinita; Bassler, Stefan; Andrejev, Sergej ...

Subjects: 0301 basic medicine; FOS: Computer and information sciences; Medicine and health sciences

• Source: PLoS Comput BiolPLoS Computational Biology, Vol 18, Iss 4, p e1010029 (2022)PLoS Computational Biology 18(4), e1010029-(2022). doi:10.1371/journal.pcbi.1010029PLOS Computational

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A natural ionic liquid: low molecular mass compounds of aggregate glue droplets on spider orb webs

• Authors : Zhao, Yue; Fuji, Takao; Morita, Masato

Subjects: Condensed Matter - Materials Science; Soft Condensed Matter (cond-mat.soft); Materials Science (cond-mat.mtrl-sci)

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Generative Design of Inorganic Compounds Using Deep Diffusion Language Models

• Authors : Rongzhi Dong; Nihang Fu; Edirisuriya M. D. Siriwardane

Subjects: FOS: Computer and information sciences; Condensed Matter - Materials Science; Computer Science - Machine Learning

• Source: The Journal of Physical Chemistry A. 128:5980-5989

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Heuristics and Uncertainty Quantification in Rational and Inverse Compound and Catalyst Design

• Authors : Weymuth, Thomas; Reiher, Markus

Subjects: Chemical Physics (physics.chem-ph); Condensed Matter - Materials Science; Physics - Chemical Physics

• Source: Comprehensive Computational Chemistry ISBN: 9780128232569

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Superconductivity induced by gate-driven hydrogen intercalation in the charge-density-wave compound 1T-TiSe2

• Authors : Erik Piatti; Giacomo Prando; Martina Meinero ...

Subjects: Condensed Matter - Materials Science; Charge density; Charge density waves

• Source: Communications physics 6 (2023). doi:10.1038/s42005-023-01330-winfo:cnr-pdr/source/autori:Piatti, Erik; Prando, Giacomo; Meinero, Martina; Tresca, Cesare; Putti, Marina; Roddaro, Stefano;

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Self-Assembled Ligand-Capped Plasmonic Au Nanoparticle Films in the Kretschmann Configuration for Sensing of Volatile Organic Compounds

• Authors : Rituraj Borah; Jorid Smets; Rajeshreddy Ninakanti

Subjects: Technology; nanoparticle self-assembly; SURFACE

• Source: ACS applied nano materials

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Effect of Co substitution on ferrimagnetic Heusler compound Mn3Ga

• Authors : Quynh Anh T. Nguyen; Thi H. Ho; Myung-Hwa Jung

Subjects: Condensed Matter - Materials Science; 0103 physical sciences; Materials Science (cond-mat.mtrl-sci)

• Source: Current Applied Physics. 49:78-82

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Exploring the effect of strong electronic correlations in Seebeck Coefficient of the NdCoO3 compound : Using experimental and DFT+U approach

• Authors : Abhishek Pandey; Sudhir K Pandey

Subjects: Condensed Matter - Materials Science; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences

• Source: Physica Scripta. 99:095954

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Compound Channel Capacities under Energy Constraints and Application

• Authors : Cacioppo, Andrea; Notzel, Janis; Rosati, Matteo

Subjects: FOS: Computer and information sciences; Quantum Physics; Computer Science - Information Theory

• Source: ISIT2021 IEEE International Symposium on Information Theory (ISIT)

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Machine Learning Identification of Organic Compounds Using Visible Light

• Authors : Thulasi Bikku; Rubén A. Fritz; Yamil J. Colón

Subjects: Chemical Physics (physics.chem-ph); FOS: Computer and information sciences; Computer Science - Machine Learning

• Source: The Journal of Physical Chemistry A. 127:2407-2414

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