List of works - Ansgar Schuffenhauer

A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screening

scientific article published on 16 December 2005

An ontology for pharmaceutical ligands and its application for in silico screening and library design

scientific article

Bioactivity-guided mapping and navigation of chemical space.

scientific article

Charting biologically relevant chemical space: a structural classification of natural products (SCONP)

scientific article

Cheminformatic Analysis of Natural Products and their Chemical Space

article

Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs

scientific article published on January 2008

Chemogenomics knowledge-based strategies in drug discovery.

scientific article published in March 2003

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

article from 12 June 2007

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

article by Ansgar Schuffenhauer et al published March 2007 in Journal of Chemical Information and Modeling

Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

scientific article published on May 2004

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

scientific article published on 29 September 2004

Complex molecules: do they add value?

scientific article

Compound set enrichment: a novel approach to analysis of primary HTS data

scientific article

Conformations of Chiral α,β-Unsaturated Sulfoxides and Their Complexes with Lewis Acids. An ab Initio Study

article published in 1998

Dark chemical matter as a promising starting point for drug lead discovery

scientific article published on 19 October 2015

Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing

scientific article published on 30 November 2020

Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information

scientific article published on 01 November 2005

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

scientific article (publication date: 10 June 2009)

Evolution of Novartis' Small Molecule Screening Deck Design

scientific article published on 03 November 2020

Gene-signature-derived IC50s/EC50s reflect the potency of causative upstream targets and downstream phenotypes

scientific article published on 15 June 2020

Glucocorticoid receptor ligands modulate Cardiovirus encephalomyocarditis virus internal ribosome entry site activity

scientific article published on July 2013

High-Throughput Screening Using iPSC-Derived Neuronal Progenitors to Identify Compounds Counteracting Epigenetic Gene Silencing in Fragile X Syndrome.

scientific article

Identification of Cardiac Glycoside Molecules as Inhibitors of c-Myc IRES-Mediated Translation ⬇️

scientific article published on November 13, 2012

Identification of SPPL2a Inhibitors by Multiparametric Analysis of a High-Content Ultra-High-Throughput Screen

scientific article published on 01 July 2017

Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis

scientific article published in September 2006

Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection

scientific article published in January 2005

Latent Hit Series Hidden in High-Throughput Screening Data ⬇️

scientific article published on January 23, 2012

Library Design for Fragment Based Screening

article published in 2005

Library design for fragment based screening

scientific article published in January 2005

Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data

scientific article

MultiMCS: a fast algorithm for the maximum common substructure problem on multiple molecules

scientific article published on 29 March 2011

N -aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity

scientific article published on 09 May 2018

Natural product-likeness score and its application for prioritization of compound libraries

scientific article published on 23 November 2007

New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

scientific article

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds

scientific article

Recent trends and observations in the design of high-quality screening collections

scientific article

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

scientific article published in March 2006

Rule-Based Classification of Chemical Structures by Scaffold

scientific article published on 16 August 2011

Similarity metrics for ligands reflecting the similarity of the target proteins

scientific article published in March 2003

Splitting chemical structure data sets for federated privacy-preserving machine learning

scientific article

Systematic Chemogenetic Library Assembly

scientific article published on 21 July 2020

The Scaffold Tree — Visualization of the Scaffold Universe by Hierarchical Scaffold Classification

scholarly article by Ansgar Schuffenhauer et al published 10 April 2007 in ChemInform

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

scientific article published in January 2007

The scaffold tree: an efficient navigation in the scaffold universe

scientific article published on January 2011

List of works by Ansgar Schuffenhauer

A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screening

An ontology for pharmaceutical ligands and its application for in silico screening and library design

Bioactivity-guided mapping and navigation of chemical space.

Charting biologically relevant chemical space: a structural classification of natural products (SCONP)

Cheminformatic Analysis of Natural Products and their Chemical Space

Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs

Chemogenomics knowledge-based strategies in drug discovery.

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Complex molecules: do they add value?

Compound set enrichment: a novel approach to analysis of primary HTS data

Conformations of Chiral α,β-Unsaturated Sulfoxides and Their Complexes with Lewis Acids. An ab Initio Study

Dark chemical matter as a promising starting point for drug lead discovery

Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing

Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Evolution of Novartis' Small Molecule Screening Deck Design

Gene-signature-derived IC50s/EC50s reflect the potency of causative upstream targets and downstream phenotypes

Glucocorticoid receptor ligands modulate Cardiovirus encephalomyocarditis virus internal ribosome entry site activity

High-Throughput Screening Using iPSC-Derived Neuronal Progenitors to Identify Compounds Counteracting Epigenetic Gene Silencing in Fragile X Syndrome.

Identification of Cardiac Glycoside Molecules as Inhibitors of c-Myc IRES-Mediated Translation ⬇️

Identification of SPPL2a Inhibitors by Multiparametric Analysis of a High-Content Ultra-High-Throughput Screen

Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis

Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection

Latent Hit Series Hidden in High-Throughput Screening Data ⬇️

Library Design for Fragment Based Screening

Library design for fragment based screening

Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data

MultiMCS: a fast algorithm for the maximum common substructure problem on multiple molecules

N -aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity

Natural product-likeness score and its application for prioritization of compound libraries

New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds

Recent trends and observations in the design of high-quality screening collections

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

Rule-Based Classification of Chemical Structures by Scaffold

Similarity metrics for ligands reflecting the similarity of the target proteins

Splitting chemical structure data sets for federated privacy-preserving machine learning

Systematic Chemogenetic Library Assembly

The Scaffold Tree — Visualization of the Scaffold Universe by Hierarchical Scaffold Classification

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

The scaffold tree: an efficient navigation in the scaffold universe

Toxizitätsvorhersage im Intranet