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Bioinformatics (Oxford, England)
|
March 19, 2010
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
Pedro J Ballester, John B O Mitchell
BMC Bioinformatics
|
June 3, 2014
From sequence to enzyme mechanism using multi-label machine learning
Luna De Ferrari, John B O Mitchell
Molecular Pharmaceutics
|
June 12, 2014
Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules?
David S Palmer, John B O Mitchell
Journal of Chemical Information and Modeling
|
May 20, 2011
Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions
Pedro J Ballester, John B O Mitchell
Organic & Biomolecular Chemistry
|
November 10, 2004
A structure-odour relationship study using EVA descriptors and hierarchical clustering
Shin-ya Takane, John B O Mitchell
ACS Omega
|
August 19, 2024
Revisiting the Application of Machine Learning Approaches in Predicting Aqueous Solubility
Tianyuan Zheng, John B O Mitchell, Simon Dobson
Journal of Cheminformatics
|
December 15, 2017
Can human experts predict solubility better than computers?
Samuel Boobier, Anne Osbourn, John B O Mitchell
Current Medicinal Chemistry
|
July 15, 2017
Rational Drug Design of Antineoplastic Agents Using 3D-QSAR, Cheminformatic, and Virtual Screening Approaches
Jelica Vucicevic, Katarina Nikolic, John B O Mitchell
BMC Bioinformatics
|
July 4, 2013
PFClust: a novel parameter free clustering algorithm
Lazaros Mavridis, Neetika Nath, John B O Mitchell
Journal of Molecular Evolution
|
September 5, 2014
One origin for metallo-β-lactamase activity, or two? An investigation assessing a diverse set of reconstructed ancestral sequences based on a sample of phylogenetic trees
Rosanna G Alderson, Daniel Barker, John B O Mitchell
Page
of 8
Search research articles
Search
Showing results (11-20 of 80) with videos related to
Sort By:
Page
of 8
Bioinformatics (Oxford, England)
|
March 19, 2010
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
Pedro J Ballester, John B O Mitchell
BMC Bioinformatics
|
June 3, 2014
From sequence to enzyme mechanism using multi-label machine learning
Luna De Ferrari, John B O Mitchell
Molecular Pharmaceutics
|
June 12, 2014
Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules?
David S Palmer, John B O Mitchell
Journal of Chemical Information and Modeling
|
May 20, 2011
Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions
Pedro J Ballester, John B O Mitchell
Organic & Biomolecular Chemistry
|
November 10, 2004
A structure-odour relationship study using EVA descriptors and hierarchical clustering
Shin-ya Takane, John B O Mitchell
ACS Omega
|
August 19, 2024
Revisiting the Application of Machine Learning Approaches in Predicting Aqueous Solubility
Tianyuan Zheng, John B O Mitchell, Simon Dobson
Journal of Cheminformatics
|
December 15, 2017
Can human experts predict solubility better than computers?
Samuel Boobier, Anne Osbourn, John B O Mitchell
Current Medicinal Chemistry
|
July 15, 2017
Rational Drug Design of Antineoplastic Agents Using 3D-QSAR, Cheminformatic, and Virtual Screening Approaches
Jelica Vucicevic, Katarina Nikolic, John B O Mitchell
BMC Bioinformatics
|
July 4, 2013
PFClust: a novel parameter free clustering algorithm
Lazaros Mavridis, Neetika Nath, John B O Mitchell
Journal of Molecular Evolution
|
September 5, 2014
One origin for metallo-β-lactamase activity, or two? An investigation assessing a diverse set of reconstructed ancestral sequences based on a sample of phylogenetic trees
Rosanna G Alderson, Daniel Barker, John B O Mitchell
Page
of 8