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Drug Discovery Today
|
November 7, 2018
Evolution of commercially available compounds for HTS
Dmitriy M Volochnyuk, Sergey V Ryabukhin, Yurii S Moroz, et al.
Journal of Chemical Information and Modeling
|
December 20, 2021
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Communications Chemistry
|
January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> capture
Alexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Journal of Chemical Information and Modeling
|
August 30, 2008
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
Igor V Tetko, Iurii Sushko, Anil Kumar Pandey, et al.
Journal of Chemical Information and Modeling
|
October 23, 2019
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules
Dmitry V Zankov, Timur I Madzhidov, Assima Rakhimbekova, et al.
Journal of Medicinal Chemistry
|
May 26, 2006
Skin permeation rate as a function of chemical structure
Alan R Katritzky, Dimitar A Dobchev, Dan C Fara, et al.
The Analyst
|
July 2, 2019
Serum-based differentiation between multiple sclerosis and amyotrophic lateral sclerosis by Random Forest classification of FTIR spectra
Youssef El Khoury, Nicolas Collongues, Jérôme De Sèze, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
International Journal of Molecular Sciences
|
March 10, 2022
Rapid Discrimination of Neuromyelitis Optica Spectrum Disorder and Multiple Sclerosis Using Machine Learning on Infrared Spectra of Sera
Youssef El Khoury, Marie Gebelin, Jérôme de Sèze, et al.
Bioorganic & Medicinal Chemistry
|
May 16, 2006
Correlation of blood-brain penetration using structural descriptors
Alan R Katritzky, Minati Kuanar, Svetoslav Slavov, et al.
Page
of 16
Search research articles
Search
Showing results (121-130 of 158) with videos related to
Sort By:
Page
of 16
Drug Discovery Today
|
November 7, 2018
Evolution of commercially available compounds for HTS
Dmitriy M Volochnyuk, Sergey V Ryabukhin, Yurii S Moroz, et al.
Journal of Chemical Information and Modeling
|
December 20, 2021
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Communications Chemistry
|
January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> capture
Alexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Journal of Chemical Information and Modeling
|
August 30, 2008
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
Igor V Tetko, Iurii Sushko, Anil Kumar Pandey, et al.
Journal of Chemical Information and Modeling
|
October 23, 2019
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules
Dmitry V Zankov, Timur I Madzhidov, Assima Rakhimbekova, et al.
Journal of Medicinal Chemistry
|
May 26, 2006
Skin permeation rate as a function of chemical structure
Alan R Katritzky, Dimitar A Dobchev, Dan C Fara, et al.
The Analyst
|
July 2, 2019
Serum-based differentiation between multiple sclerosis and amyotrophic lateral sclerosis by Random Forest classification of FTIR spectra
Youssef El Khoury, Nicolas Collongues, Jérôme De Sèze, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
International Journal of Molecular Sciences
|
March 10, 2022
Rapid Discrimination of Neuromyelitis Optica Spectrum Disorder and Multiple Sclerosis Using Machine Learning on Infrared Spectra of Sera
Youssef El Khoury, Marie Gebelin, Jérôme de Sèze, et al.
Bioorganic & Medicinal Chemistry
|
May 16, 2006
Correlation of blood-brain penetration using structural descriptors
Alan R Katritzky, Minati Kuanar, Svetoslav Slavov, et al.
Page
of 16