Search research articles
Contact Us
Filters
Showing results (11-20 of 60) with videos related to
Page
of 6
Sort By:
Journal of Chemical Information and Modeling
|
May 13, 2009
Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data
Sebastian G Rohrer, Knut Baumann
Molecules (Basel, Switzerland)
|
November 13, 2021
Evaluating High-Variance Leaves as Uncertainty Measure for Random Forest Regression
Thomas-Martin Dutschmann, Knut Baumann
Molecular Informatics
|
August 6, 2016
Chemoinformatic Classification Methods and their Applicability Domain
Miriam Mathea, Waldemar Klingspohn, Knut Baumann
Molecular Informatics
|
May 28, 2024
Chemoinformatic regression methods and their applicability domain
Thomas-Martin Dutschmann, Valerie Schlenker, Knut Baumann
Expert Opinion on Drug Discovery
|
February 25, 2014
Recent progress in tight junction modulation for improving bioavailability
Daniel Saaber, Sabrina Wollenhaupt, Knut Baumann, et al.
Journal of Chemical Information and Modeling
|
November 28, 2017
xMaP-An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles
Jan Dreher, Josef Scheiber, Nikolaus Stiefl, et al.
Current Topics in Medicinal Chemistry
|
April 14, 2006
Inhibitors of cysteine proteases
Radim Vicik, Matthias Busemann, Knut Baumann, et al.
Journal of Computer-Aided Molecular Design
|
November 26, 2003
Evaluation of extended parameter sets for the 3D-QSAR technique MaP: implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids
Nikolaus Stiefl, Gerhard Bringmann, Christian Rummey, et al.
Angewandte Chemie (International Ed. in English)
|
October 19, 2005
Charge interactions do the job: a combined statistical and combinatorial approach to finding artificial receptors for binding tetrapeptides in water
Carsten Schmuck, Martin Heil, Josef Scheiber, et al.
Mabs
|
March 18, 2026
AbDist: a lightweight, distance-based model for antibody affinity prediction as an interpretable benchmark for machine learning models
Marc Hoffstedt, Jannis Wowra, Hermann Wätzig, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 60) with videos related to
Sort By:
Page
of 6
Journal of Chemical Information and Modeling
|
May 13, 2009
Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data
Sebastian G Rohrer, Knut Baumann
Molecules (Basel, Switzerland)
|
November 13, 2021
Evaluating High-Variance Leaves as Uncertainty Measure for Random Forest Regression
Thomas-Martin Dutschmann, Knut Baumann
Molecular Informatics
|
August 6, 2016
Chemoinformatic Classification Methods and their Applicability Domain
Miriam Mathea, Waldemar Klingspohn, Knut Baumann
Molecular Informatics
|
May 28, 2024
Chemoinformatic regression methods and their applicability domain
Thomas-Martin Dutschmann, Valerie Schlenker, Knut Baumann
Expert Opinion on Drug Discovery
|
February 25, 2014
Recent progress in tight junction modulation for improving bioavailability
Daniel Saaber, Sabrina Wollenhaupt, Knut Baumann, et al.
Journal of Chemical Information and Modeling
|
November 28, 2017
xMaP-An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles
Jan Dreher, Josef Scheiber, Nikolaus Stiefl, et al.
Current Topics in Medicinal Chemistry
|
April 14, 2006
Inhibitors of cysteine proteases
Radim Vicik, Matthias Busemann, Knut Baumann, et al.
Journal of Computer-Aided Molecular Design
|
November 26, 2003
Evaluation of extended parameter sets for the 3D-QSAR technique MaP: implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids
Nikolaus Stiefl, Gerhard Bringmann, Christian Rummey, et al.
Angewandte Chemie (International Ed. in English)
|
October 19, 2005
Charge interactions do the job: a combined statistical and combinatorial approach to finding artificial receptors for binding tetrapeptides in water
Carsten Schmuck, Martin Heil, Josef Scheiber, et al.
Mabs
|
March 18, 2026
AbDist: a lightweight, distance-based model for antibody affinity prediction as an interpretable benchmark for machine learning models
Marc Hoffstedt, Jannis Wowra, Hermann Wätzig, et al.
Page
of 6