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Journal of Chemical Information and Modeling
|
July 12, 2016
Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR
Isidro Cortes-Ciriano
Journal of Cheminformatics
|
March 8, 2016
Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets
Isidro Cortes-Ciriano
Journal of Chemical Information and Modeling
|
December 2, 2015
Improved Chemical Structure-Activity Modeling Through Data Augmentation
Isidro Cortes-Ciriano, Andreas Bender
Drug Discovery Today
|
January 28, 2021
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
Andreas Bender, Isidro Cortes-Ciriano
Bioinformatics (Oxford, England)
|
August 11, 2020
A semi-supervised learning framework for quantitative structure-activity regression modelling
Oliver Watson, Isidro Cortes-Ciriano, James A Watson
Current Pharmaceutical Design
|
October 28, 2016
Current Trends in Drug Sensitivity Prediction
Isidro Cortes-Ciriano, Lewis H Mervin, Andreas Bender
Journal of Chemical Information and Modeling
|
June 4, 2015
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
Isidro Cortes-Ciriano, Andreas Bender, Thérèse E Malliavin
Journal of Chemical Theory and Computation
|
November 18, 2015
Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information
Isidro Cortes-Ciriano, Guillaume Bouvier, Michael Nilges, et al.
Bioinformatics (Oxford, England)
|
May 10, 2019
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery
Oliver P Watson, Isidro Cortes-Ciriano, Aimee R Taylor, et al.
Nature Communications
|
June 7, 2017
A molecular portrait of microsatellite instability across multiple cancers
Isidro Cortes-Ciriano, Sejoon Lee, Woong-Yang Park, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
July 12, 2016
Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR
Isidro Cortes-Ciriano
Journal of Cheminformatics
|
March 8, 2016
Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets
Isidro Cortes-Ciriano
Journal of Chemical Information and Modeling
|
December 2, 2015
Improved Chemical Structure-Activity Modeling Through Data Augmentation
Isidro Cortes-Ciriano, Andreas Bender
Drug Discovery Today
|
January 28, 2021
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
Andreas Bender, Isidro Cortes-Ciriano
Bioinformatics (Oxford, England)
|
August 11, 2020
A semi-supervised learning framework for quantitative structure-activity regression modelling
Oliver Watson, Isidro Cortes-Ciriano, James A Watson
Current Pharmaceutical Design
|
October 28, 2016
Current Trends in Drug Sensitivity Prediction
Isidro Cortes-Ciriano, Lewis H Mervin, Andreas Bender
Journal of Chemical Information and Modeling
|
June 4, 2015
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
Isidro Cortes-Ciriano, Andreas Bender, Thérèse E Malliavin
Journal of Chemical Theory and Computation
|
November 18, 2015
Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information
Isidro Cortes-Ciriano, Guillaume Bouvier, Michael Nilges, et al.
Bioinformatics (Oxford, England)
|
May 10, 2019
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery
Oliver P Watson, Isidro Cortes-Ciriano, Aimee R Taylor, et al.
Nature Communications
|
June 7, 2017
A molecular portrait of microsatellite instability across multiple cancers
Isidro Cortes-Ciriano, Sejoon Lee, Woong-Yang Park, et al.
Page
of 4