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Journal of Cheminformatics
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March 28, 2025
Protecting your skin: a highly accurate LSTM network integrating conjoint features for predicting chemical-induced skin irritation
Huynh Anh Duy, Tarapong Srisongkram
Journal of Cheminformatics
|
April 15, 2025
Integrating QSAR modelling with reinforcement learning for Syk inhibitor discovery
Maria Zavadskaya, Anastasia Orlova, Andrei Dmitrenko, et al.
Journal of Cheminformatics
|
April 11, 2025
Enhancing chemical reaction search through contrastive representation learning and human-in-the-loop
Youngchun Kwon, Hyunjeong Jeon, Joonhyuk Choi, et al.
Journal of Cheminformatics
|
June 2, 2023
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, et al.
Journal of Cheminformatics
|
March 18, 2026
A light-weight Graph Neural Network for the prediction of <sup>31</sup>P Nuclear Magnetic Resonance signals
Dimitri Domnjuk, Jana de Wiljes, Robert Geitner
Journal of Cheminformatics
|
February 7, 2024
Ontologies4Cat: investigating the landscape of ontologies for catalysis research data management
Alexander S Behr, Hendrik Borgelt, Norbert Kockmann
Journal of Cheminformatics
|
March 26, 2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural products
Davide Boldini, Davide Ballabio, Viviana Consonni, et al.
Journal of Cheminformatics
|
February 23, 2024
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
Candida Manelfi, Valerio Tazzari, Filippo Lunghini, et al.
Journal of Cheminformatics
|
March 6, 2024
Prediction of compound-target interaction using several artificial intelligence algorithms and comparison with a consensus-based strategy
Karina Jimenes-Vargas, Alejandro Pazos, Cristian R Munteanu, et al.
Journal of Cheminformatics
|
March 5, 2024
Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability
Marie Oestreich, Iva Ewert, Matthias Becker
Page
of 137
Search research articles
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Showing results (971-980 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
March 28, 2025
Protecting your skin: a highly accurate LSTM network integrating conjoint features for predicting chemical-induced skin irritation
Huynh Anh Duy, Tarapong Srisongkram
Journal of Cheminformatics
|
April 15, 2025
Integrating QSAR modelling with reinforcement learning for Syk inhibitor discovery
Maria Zavadskaya, Anastasia Orlova, Andrei Dmitrenko, et al.
Journal of Cheminformatics
|
April 11, 2025
Enhancing chemical reaction search through contrastive representation learning and human-in-the-loop
Youngchun Kwon, Hyunjeong Jeon, Joonhyuk Choi, et al.
Journal of Cheminformatics
|
June 2, 2023
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, et al.
Journal of Cheminformatics
|
March 18, 2026
A light-weight Graph Neural Network for the prediction of <sup>31</sup>P Nuclear Magnetic Resonance signals
Dimitri Domnjuk, Jana de Wiljes, Robert Geitner
Journal of Cheminformatics
|
February 7, 2024
Ontologies4Cat: investigating the landscape of ontologies for catalysis research data management
Alexander S Behr, Hendrik Borgelt, Norbert Kockmann
Journal of Cheminformatics
|
March 26, 2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural products
Davide Boldini, Davide Ballabio, Viviana Consonni, et al.
Journal of Cheminformatics
|
February 23, 2024
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
Candida Manelfi, Valerio Tazzari, Filippo Lunghini, et al.
Journal of Cheminformatics
|
March 6, 2024
Prediction of compound-target interaction using several artificial intelligence algorithms and comparison with a consensus-based strategy
Karina Jimenes-Vargas, Alejandro Pazos, Cristian R Munteanu, et al.
Journal of Cheminformatics
|
March 5, 2024
Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability
Marie Oestreich, Iva Ewert, Matthias Becker
Page
of 137