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Journal of Medicinal Chemistry
|
December 28, 2002
Surface descriptors for protein-ligand affinity prediction
Ismael Zamora, Tudor Oprea, Gabriele Cruciani, et al.
Bioanalysis
|
June 1, 2013
Software automation tools for increased throughput metabolic soft-spot identification in early drug discovery
Veronica Zelesky, Richard Schneider, John Janiszewski, et al.
Journal of Computer-Aided Molecular Design
|
January 4, 2003
Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors
Lovisa Afzelius, Collen M Masimirembwa, Anders Karlén, et al.
Rapid Communications in Mass Spectrometry : RCM
|
October 8, 2015
Software-aided structural elucidation in drug discovery
Marie Ahlqvist, Carina Leandersson, Martin A Hayes, et al.
Rapid Communications in Mass Spectrometry : RCM
|
February 10, 2025
Molecular Structure and Mass Spectral Data Quality-Driven Processing of High-Resolution Mass Spectrometry for Quantitative Analysis
Fabien Fontaine, Luca Morettoni, Ken Anderson, et al.
Scientific Reports
|
April 25, 2026
Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data
Paula Cifuentes, Ramon Adàlia, Lisa A Vasicek, et al.
Expert Opinion on Drug Metabolism & Toxicology
|
June 23, 2010
The challenges of in silico contributions to drug metabolism in lead optimization
Roy J Vaz, Ismael Zamora, Yi Li, et al.
Journal of Chemical Information and Modeling
|
June 1, 2021
Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase
Stefano Bonciarelli, Jenny Desantis, Laura Goracci, et al.
Analytical Chemistry
|
December 10, 2025
Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows
Ramon Adàlia, Paula Cifuentes, Joyce Liu, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
September 5, 2006
Contribution of solid-state properties to the aqueous solubility of drugs
Carola M Wassvik, Anders G Holmén, Christel A S Bergström, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 56) with videos related to
Sort By:
Page
of 6
Journal of Medicinal Chemistry
|
December 28, 2002
Surface descriptors for protein-ligand affinity prediction
Ismael Zamora, Tudor Oprea, Gabriele Cruciani, et al.
Bioanalysis
|
June 1, 2013
Software automation tools for increased throughput metabolic soft-spot identification in early drug discovery
Veronica Zelesky, Richard Schneider, John Janiszewski, et al.
Journal of Computer-Aided Molecular Design
|
January 4, 2003
Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors
Lovisa Afzelius, Collen M Masimirembwa, Anders Karlén, et al.
Rapid Communications in Mass Spectrometry : RCM
|
October 8, 2015
Software-aided structural elucidation in drug discovery
Marie Ahlqvist, Carina Leandersson, Martin A Hayes, et al.
Rapid Communications in Mass Spectrometry : RCM
|
February 10, 2025
Molecular Structure and Mass Spectral Data Quality-Driven Processing of High-Resolution Mass Spectrometry for Quantitative Analysis
Fabien Fontaine, Luca Morettoni, Ken Anderson, et al.
Scientific Reports
|
April 25, 2026
Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data
Paula Cifuentes, Ramon Adàlia, Lisa A Vasicek, et al.
Expert Opinion on Drug Metabolism & Toxicology
|
June 23, 2010
The challenges of in silico contributions to drug metabolism in lead optimization
Roy J Vaz, Ismael Zamora, Yi Li, et al.
Journal of Chemical Information and Modeling
|
June 1, 2021
Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase
Stefano Bonciarelli, Jenny Desantis, Laura Goracci, et al.
Analytical Chemistry
|
December 10, 2025
Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows
Ramon Adàlia, Paula Cifuentes, Joyce Liu, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
September 5, 2006
Contribution of solid-state properties to the aqueous solubility of drugs
Carola M Wassvik, Anders G Holmén, Christel A S Bergström, et al.
Page
of 6