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Current Opinion in Structural Biology
|
March 26, 2023
Artificial intelligence in molecular de novo design: Integration with experiment
Jon Paul Janet, Lewis Mervin, Ola Engkvist
Journal of Chemical Information and Modeling
|
July 1, 2024
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design
Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, et al.
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
Journal of Cheminformatics
|
March 5, 2025
Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models
Hannah Rosa Friesacher, Ola Engkvist, Lewis Mervin, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
Journal of Cheminformatics
|
January 1, 2018
Computer-aided design of multi-target ligands at A<sub>1</sub>R, A<sub>2A</sub>R and PDE10A, key proteins in neurodegenerative diseases
Leen Kalash, Cristina Val, Jhonny Azuaje, et al.
Plos One
|
October 16, 2015
A Nano-MgO and Ionic Liquid-Catalyzed 'Green' Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51)
Sebastian Anusha, Baburajeev Cp, Chakrabhavi Dhananjaya Mohan, et al.
ACS Chemical Biology
|
July 6, 2022
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature
Maria-Anna Trapotsi, Elizabeth Mouchet, Guy Williams, et al.
Plos One
|
April 21, 2016
Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway
Chakrabhavi Dhananjaya Mohan, V Srinivasa, Shobith Rangappa, et al.
Bioorganic & Medicinal Chemistry Letters
|
February 5, 2022
Synthesis and SAR of novel GPR39 agonists and positive allosteric modulators
Russell Burley, Richard C Hewer, Martin Teall, et al.
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Current Opinion in Structural Biology
|
March 26, 2023
Artificial intelligence in molecular de novo design: Integration with experiment
Jon Paul Janet, Lewis Mervin, Ola Engkvist
Journal of Chemical Information and Modeling
|
July 1, 2024
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design
Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, et al.
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
Journal of Cheminformatics
|
March 5, 2025
Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models
Hannah Rosa Friesacher, Ola Engkvist, Lewis Mervin, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
Journal of Cheminformatics
|
January 1, 2018
Computer-aided design of multi-target ligands at A<sub>1</sub>R, A<sub>2A</sub>R and PDE10A, key proteins in neurodegenerative diseases
Leen Kalash, Cristina Val, Jhonny Azuaje, et al.
Plos One
|
October 16, 2015
A Nano-MgO and Ionic Liquid-Catalyzed 'Green' Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51)
Sebastian Anusha, Baburajeev Cp, Chakrabhavi Dhananjaya Mohan, et al.
ACS Chemical Biology
|
July 6, 2022
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature
Maria-Anna Trapotsi, Elizabeth Mouchet, Guy Williams, et al.
Plos One
|
April 21, 2016
Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway
Chakrabhavi Dhananjaya Mohan, V Srinivasa, Shobith Rangappa, et al.
Bioorganic & Medicinal Chemistry Letters
|
February 5, 2022
Synthesis and SAR of novel GPR39 agonists and positive allosteric modulators
Russell Burley, Richard C Hewer, Martin Teall, et al.
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of 2