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Journal of Chemical Information and Computer Sciences
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September 23, 2003
Anti-HIV activity of HEPT, TIBO, and cyclic urea derivatives: structure-property studies, focused combinatorial library generation, and hits selection using substructural molecular fragments method
V P Solov'ev, A Varnek
Combinatorial Chemistry & High Throughput Screening
|
August 17, 2005
"In silico" design of potential anti-HIV actives using fragment descriptors
A Varnek, V P Solov'ev
Molecular Informatics
|
September 14, 2017
Neighboring Structure Visualization on a Grid-based Layout
G Marcou, D Horvath, A Varnek
Journal of Computer-Aided Molecular Design
|
August 22, 2013
Estimation of the size of drug-like chemical space based on GDB-17 data
P G Polishchuk, T I Madzhidov, A Varnek
The Journal of Physical Chemistry. B
|
December 15, 2010
In silico design of new ionic liquids based on quantitative structure-property relationship models of ionic liquid viscosity
I Billard, G Marcou, A Ouadi, et al.
Journal of Computer-Aided Molecular Design
|
November 18, 2005
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
A Varnek, D Fourches, F Hoonakker, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Assessment of the macrocyclic effect for the complexation of crown-ethers with alkali cations using the Substructural Molecular Fragments method
A Varnek, G Wipff, V P Solov'ev, et al.
Scientific Data
|
March 19, 2024
Will we ever be able to accurately predict solubility?
P Llompart, C Minoletti, S Baybekov, et al.
Molecular Informatics
|
August 5, 2016
GTM-Based QSAR Models and Their Applicability Domains
H A Gaspar, I I Baskin, G Marcou, et al.
Molecular Informatics
|
August 2, 2016
Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions
G Marcou, D Horvath, V Solov'ev, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Computer Sciences
|
September 23, 2003
Anti-HIV activity of HEPT, TIBO, and cyclic urea derivatives: structure-property studies, focused combinatorial library generation, and hits selection using substructural molecular fragments method
V P Solov'ev, A Varnek
Combinatorial Chemistry & High Throughput Screening
|
August 17, 2005
"In silico" design of potential anti-HIV actives using fragment descriptors
A Varnek, V P Solov'ev
Molecular Informatics
|
September 14, 2017
Neighboring Structure Visualization on a Grid-based Layout
G Marcou, D Horvath, A Varnek
Journal of Computer-Aided Molecular Design
|
August 22, 2013
Estimation of the size of drug-like chemical space based on GDB-17 data
P G Polishchuk, T I Madzhidov, A Varnek
The Journal of Physical Chemistry. B
|
December 15, 2010
In silico design of new ionic liquids based on quantitative structure-property relationship models of ionic liquid viscosity
I Billard, G Marcou, A Ouadi, et al.
Journal of Computer-Aided Molecular Design
|
November 18, 2005
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
A Varnek, D Fourches, F Hoonakker, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Assessment of the macrocyclic effect for the complexation of crown-ethers with alkali cations using the Substructural Molecular Fragments method
A Varnek, G Wipff, V P Solov'ev, et al.
Scientific Data
|
March 19, 2024
Will we ever be able to accurately predict solubility?
P Llompart, C Minoletti, S Baybekov, et al.
Molecular Informatics
|
August 5, 2016
GTM-Based QSAR Models and Their Applicability Domains
H A Gaspar, I I Baskin, G Marcou, et al.
Molecular Informatics
|
August 2, 2016
Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions
G Marcou, D Horvath, V Solov'ev, et al.
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of 3