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Journal of Chemical Information and Modeling
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September 1, 2020
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions
Lewis H Mervin, Avid M Afzal, Ola Engkvist, et al.
Journal of Cheminformatics
|
October 3, 2022
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
December 22, 2023
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
Benoit Baillif, Jason Cole, Ilenia Giangreco, et al.
Journal of Cheminformatics
|
November 22, 2023
On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data
Koichi Handa, Morgan C Thomas, Michiharu Kageyama, et al.
Biostatistics (Oxford, England)
|
February 16, 2018
Penalized estimation of complex, non-linear exposure-lag-response associations
Andreas Bender, Fabian Scheipl, Wolfgang Hartl, et al.
Analytical Biochemistry
|
July 31, 2007
A multiplex real-time PCR method to detect and quantify mitochondrial DNA deletions in individual cells
Kim J Krishnan, Andreas Bender, Robert W Taylor, et al.
Journal of Chemical Information and Modeling
|
December 6, 2008
Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics
Florian Nigsch, Andreas Bender, Jeremy L Jenkins, et al.
Resuscitation
|
June 11, 2013
Rehabilitation outcome of anoxic-ischaemic encephalopathy survivors with prolonged disorders of consciousness
Kaitlen Howell, Eva Grill, Anke-Maria Klein, et al.
Plos One
|
December 24, 2011
Understanding and classifying metabolite space and metabolite-likeness
Julio E Peironcely, Theo Reijmers, Leon Coulier, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner
Eelke van der Horst, Yasushi Okuno, Andreas Bender, et al.
Page
of 42
Search research articles
Search
Showing results (91-100 of 411) with videos related to
Sort By:
Page
of 42
Journal of Chemical Information and Modeling
|
September 1, 2020
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions
Lewis H Mervin, Avid M Afzal, Ola Engkvist, et al.
Journal of Cheminformatics
|
October 3, 2022
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
December 22, 2023
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
Benoit Baillif, Jason Cole, Ilenia Giangreco, et al.
Journal of Cheminformatics
|
November 22, 2023
On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data
Koichi Handa, Morgan C Thomas, Michiharu Kageyama, et al.
Biostatistics (Oxford, England)
|
February 16, 2018
Penalized estimation of complex, non-linear exposure-lag-response associations
Andreas Bender, Fabian Scheipl, Wolfgang Hartl, et al.
Analytical Biochemistry
|
July 31, 2007
A multiplex real-time PCR method to detect and quantify mitochondrial DNA deletions in individual cells
Kim J Krishnan, Andreas Bender, Robert W Taylor, et al.
Journal of Chemical Information and Modeling
|
December 6, 2008
Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics
Florian Nigsch, Andreas Bender, Jeremy L Jenkins, et al.
Resuscitation
|
June 11, 2013
Rehabilitation outcome of anoxic-ischaemic encephalopathy survivors with prolonged disorders of consciousness
Kaitlen Howell, Eva Grill, Anke-Maria Klein, et al.
Plos One
|
December 24, 2011
Understanding and classifying metabolite space and metabolite-likeness
Julio E Peironcely, Theo Reijmers, Leon Coulier, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner
Eelke van der Horst, Yasushi Okuno, Andreas Bender, et al.
Page
of 42