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RSC Advances
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May 6, 2022
Chemical space exploration guided by deep neural networks
Dmitry S Karlov, Sergey Sosnin, Igor V Tetko, et al.
Journal of Inorganic Biochemistry
|
February 22, 2008
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods
Igor V Tetko, Iwona Jaroszewicz, James A Platts, et al.
Journal of Chemical Information and Modeling
|
April 19, 2018
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays
Dipan Ghosh, Uwe Koch, Kamyar Hadian, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
November 3, 2024
The state-of-the-art machine learning model for plasma protein binding prediction: Computational modeling with OCHEM and experimental validation
Zunsheng Han, Zhonghua Xia, Jie Xia, et al.
Journal of Cheminformatics
|
April 4, 2024
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition
Peter B R Hartog, Fabian Krüger, Samuel Genheden, et al.
Molecular Informatics
|
October 22, 2021
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism
Dipan Ghosh, Uwe Koch, Kamyar Hadian, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
February 5, 2024
The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge
Andrea Hunklinger, Peter Hartog, Martin Šícho, et al.
Scientific Data
|
May 7, 2026
SangsterLogP - the largest publicly available dataset of logP values
Thalita Cirino, Giulia Caron, Giuseppe Ermondi, et al.
Journal of Chemical Information and Modeling
|
January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis Planning
Peter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Chemical Research in Toxicology
|
August 15, 2022
Artificial Intelligence Meets Toxicology
Igor V Tetko, Günter Klambauer, Djork-Arné Clevert, et al.
Page
of 13
Search research articles
Search
Showing results (51-60 of 126) with videos related to
Sort By:
Page
of 13
RSC Advances
|
May 6, 2022
Chemical space exploration guided by deep neural networks
Dmitry S Karlov, Sergey Sosnin, Igor V Tetko, et al.
Journal of Inorganic Biochemistry
|
February 22, 2008
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods
Igor V Tetko, Iwona Jaroszewicz, James A Platts, et al.
Journal of Chemical Information and Modeling
|
April 19, 2018
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays
Dipan Ghosh, Uwe Koch, Kamyar Hadian, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
November 3, 2024
The state-of-the-art machine learning model for plasma protein binding prediction: Computational modeling with OCHEM and experimental validation
Zunsheng Han, Zhonghua Xia, Jie Xia, et al.
Journal of Cheminformatics
|
April 4, 2024
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition
Peter B R Hartog, Fabian Krüger, Samuel Genheden, et al.
Molecular Informatics
|
October 22, 2021
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism
Dipan Ghosh, Uwe Koch, Kamyar Hadian, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
February 5, 2024
The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge
Andrea Hunklinger, Peter Hartog, Martin Šícho, et al.
Scientific Data
|
May 7, 2026
SangsterLogP - the largest publicly available dataset of logP values
Thalita Cirino, Giulia Caron, Giuseppe Ermondi, et al.
Journal of Chemical Information and Modeling
|
January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis Planning
Peter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Chemical Research in Toxicology
|
August 15, 2022
Artificial Intelligence Meets Toxicology
Igor V Tetko, Günter Klambauer, Djork-Arné Clevert, et al.
Page
of 13