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Journal of Chemical Information and Modeling
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May 7, 2020
Automated Identification of Chemical Series: Classifying like a Medicinal Chemist
Franziska Kruger, Nikolas Fechner, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
November 9, 2022
25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution
Maximilian Beckers, Nikolas Fechner, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
November 1, 2013
Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing
Sereina Riniker, Nikolas Fechner, Gregory A Landrum
Journal of Cheminformatics
|
March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics
|
February 13, 2010
Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Chemical Information and Modeling
|
August 13, 2024
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization
Maximilian Beckers, Finton Sirockin, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
July 18, 2017
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach
Nadine Schneider, Nikolas Fechner, Gregory A Landrum, et al.
Chemmedchem
|
May 12, 2018
Chiral Cliffs: Investigating the Influence of Chirality on Binding Affinity
Nadine Schneider, Richard A Lewis, Nikolas Fechner, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
May 7, 2020
Automated Identification of Chemical Series: Classifying like a Medicinal Chemist
Franziska Kruger, Nikolas Fechner, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
November 9, 2022
25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution
Maximilian Beckers, Nikolas Fechner, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
November 1, 2013
Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing
Sereina Riniker, Nikolas Fechner, Gregory A Landrum
Journal of Cheminformatics
|
March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics
|
February 13, 2010
Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Chemical Information and Modeling
|
August 13, 2024
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization
Maximilian Beckers, Finton Sirockin, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
July 18, 2017
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach
Nadine Schneider, Nikolas Fechner, Gregory A Landrum, et al.
Chemmedchem
|
May 12, 2018
Chiral Cliffs: Investigating the Influence of Chirality on Binding Affinity
Nadine Schneider, Richard A Lewis, Nikolas Fechner, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Page
of 2