Petra Schneider

发表

'Fuzziness' in pharmacophore-based virtual screening and de novo design.

Alexander Klenner, Markus Hartenfeller, Petra Schneider, 2010, Drug discovery today. Technologies.

Target prediction by cascaded self-organizing maps for ligand de-orphaning and side-effect investigation

Petra Schneider, Gisbert Schneider, Daniel Reker, 2014, Journal of Cheminformatics.

Combinatorial chemistry by ant colony optimization.

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, Future medicinal chemistry.

Discriminative visualization by limited rank matrix learning

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2008 .

Hyperparameter learning in probabilistic prototype-based models

Michael Biehl, Barbara Hammer, Petra Schneider, 2010, Neurocomputing.

Method for cleaning printing machines and printing forms

Petra Schneider, Dieter Stoeckigt, Guenter Oetter, 1999 .

Chemography of Natural Product Space

Petra Schneider, Gisbert Schneider, Kimito Funatsu, 2015, Planta Medica.

Accessing New Chemical Entities through Microfluidic

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014 .

Adaptive Relevance Matrices in Learning Vector Quantization

Michael Biehl, Barbara Hammer, Petra Schneider, 2009, Neural Computation.

Virtual Screening for PPAR Modulators Using a Probabilistic Neural Network

Petra Schneider, Gisbert Schneider, Oliver Rau, 2006, ChemMedChem.

Divergence based Learning Vector Quantization

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2010, ESANN.

Polypharmacological Drug−target Inference for Chemogenomics

Petra Schneider, Gisbert Schneider, G. Schneider, 2018, Molecular informatics.

Nonlinear Discriminative Data Visualization

Michael Biehl, Barbara Hammer, Petra Schneider, 2009, ESANN.

Extending RSLVQ to handle data points with uncertain class assignments

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2009 .

Accessing new chemical entities through microfluidic systems.

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, Angewandte Chemie.

Virtual screening for compounds that mimic protein–protein interface epitopes

Petra Schneider, Gisbert Schneider, Max Pillong, 2012, J. Comput. Chem..

Generalized Derivative Based Kernelized Learning Vector Quantization

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2010, IDEAL.

Hyperparameter Learning in Robust Soft LVQ

Michael Biehl, Barbara Hammer, Petra Schneider, 2009, ESANN.

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks

Petra Schneider, Gisbert Schneider, Martin Stahl, 2000, J. Comput. Aided Mol. Des..

Large margin linear discriminative visualization by Matrix Relevance Learning

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2012, The 2012 International Joint Conference on Neural Networks (IJCNN).

Stationarity of Matrix Relevance LVQ

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2015, 2015 International Joint Conference on Neural Networks (IJCNN).

Matrix relevance LVQ in steroid metabolomics based classification of adrenal tumors

Michael Biehl, Paul Stewart, Petra Schneider, 2012, ESANN.

Advanced methods for prototype-based classification

Petra Schneider, 2010 .

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

Petra Schneider, Gisbert Schneider, Daniel Reker, 2013, Molecular informatics.

Targeting Dynamic Pockets of HIV-1 Protease by Structure-Based Computational Screening for Allosteric Inhibitors

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, J. Chem. Inf. Model..

Go with the flow: de-orphaning focused combinatorial libraries

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, Journal of Cheminformatics.

Comparison of correlation vector methods for ligand-based similarity searching

Petra Schneider, Gisbert Schneider, Uli Fechner, 2003, J. Comput. Aided Mol. Des..

Efficient Kernelized Prototype Based Classification

Thomas Villmann, Frank-Michael Schleif, Barbara Hammer, 2011, Int. J. Neural Syst..

Distance phenomena in high‐dimensional chemical descriptor spaces: Consequences for similarity‐based approaches

Petra Schneider, Gisbert Schneider, Matthias Rupp, 2009, J. Comput. Chem..

Advances in artificial neural networks, machine learning, and computational intelligence (ESANN 2011)

John A. Quinn, Petra Schneider, John Aldo Lee, 2012, Neurocomputing.

Regularization in Matrix Relevance Learning

Thomas Villmann, Michael Biehl, Barbara Hammer, 2010, IEEE Transactions on Neural Networks.

Designing Multi‐target Compound Libraries with Gaussian Process Models

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2016, Molecular informatics.

Proc. 6th International Workshop on Self-Organizing Maps

Michael Biehl, Frank-Michael Schleif, Barbara Hammer, 2007 .

The Teaching-Research-Practice Nexus as Framework for the Implementation of Sustainability in Curricula in Higher Education

Petra Schneider, Lukas Folkens, Michelle Busch, 2018 .

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

Petra Schneider, Gisbert Schneider, Daniel Reker, 2014, Proceedings of the National Academy of Sciences.

17th European Symposium on Artificial Neural Networks (ESANN 2009)

Michael Biehl, Barbara Hammer, Petra Schneider, 2009 .

Stationarity of Matrix Relevance Learning Vector Quantization

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2009 .

Hybrid Network Model for “Deep Learning” of Chemical Data: Application to Antimicrobial Peptides

Petra Schneider, Gisbert Schneider, Jan A Hiss, 2017, Molecular informatics.

Targeting flexibility: a structure-based computational study revealing allosteric HIV-1 protease inhibitors

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, Journal of Cheminformatics.

Divergence-based classification in learning vector quantization

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2011, Neurocomputing.

Generative Recurrent Networks for De Novo Drug Design

Petra Schneider, Gisbert Schneider, Alex T Müller, 2017, Molecular informatics.

Incorporating Privileged Information Through Metric Learning

Peter Tiño, Shereen Fouad, Petra Schneider, 2013, IEEE Transactions on Neural Networks and Learning Systems.

De Novo Fragment Design for Drug Discovery and Chemical Biology.

Petra Schneider, Gisbert Schneider, Daniel Reker, 2015, Angewandte Chemie.

Generalized matrix learning vector quantizer for the analysis of spectral data

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2008, ESANN.

Distance Learning in Discriminative Vector Quantization

Michael Biehl, Barbara Hammer, Petra Schneider, 2009, Neural Computation.

Proc. European Symposium on Artificial Neural Networks

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2007 .

Multivariate class labeling in Robust Soft LVQ

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2011, ESANN.

Limited Rank Matrix Learning, discriminative dimension reduction and visualization

Thomas Villmann, Michael Biehl, Frank-Michael Schleif, 2012, Neural Networks.

Learning Using Privileged Information in Prototype Based Models

Peter Tiño, Shereen Fouad, Petra Schneider, 2012, ICANN.

Discriminatory Data Mapping by Matrix-Based Supervised Learning Metrics

Thomas Villmann, Michael Biehl, Barbara Hammer, 2008, ANNPR.

Metric Learning for Prototype-Based Classification

Thomas Villmann, Michael Biehl, Barbara Hammer, 2009, Innovations in Neural Information Paradigms and Applications.

Scaffold Hopping by “Fuzzy” Pharmacophores and its Application to RNA Targets

Petra Schneider, Gisbert Schneider, Ewgenij Proschak, 2007, Chembiochem : a European journal of chemical biology.

Development of a virtual screening method for identification of "frequent hitters" in compound libraries.

Wolfgang Guba, Petra Schneider, Gisbert Schneider, 2002, Journal of medicinal chemistry.

Scaffold‐Hopping Cascade Yields Potent Inhibitors of 5‐Lipoxygenase

Petra Schneider, Gisbert Schneider, Ewgenij Proschak, 2008, ChemMedChem.

Exploring the chemical space of gamma-secretase modulators.

Petra Schneider, Gisbert Schneider, Heiko Zettl, 2010, Trends in pharmacological sciences.

Inhibitors of Helicobacter pylori Protease HtrA Found by ‘Virtual Ligand’ Screening Combat Bacterial Invasion of Epithelia

Petra Schneider, Gisbert Schneider, Martin Löwer, 2011, PloS one.

Neighborhood-preserving visualization of adaptive structure-activity landscapes: application to drug discovery.

Wolfgang Guba, Petra Schneider, Gisbert Schneider, 2011, Angewandte Chemie.

Drugs by numbers: reaction-driven de novo design of potent and selective anticancer leads.

Markus Hartenfeller, Petra Schneider, Gisbert Schneider, 2013, Angewandte Chemie.

Spherical Harmonics Coefficients for Ligand-Based Virtual Screening of Cyclooxygenase Inhibitors

Petra Schneider, Gisbert Schneider, Matthias Rupp, 2011, PloS one.

De Novo Design at the Edge of Chaos.

Petra Schneider, Gisbert Schneider, G. Schneider, 2016, Journal of medicinal chemistry.

From Virtual Screening to Bioactive Compounds by Visualizing and Clustering of Chemical Space

Petra Schneider, Gisbert Schneider, Oliver Werz, 2012, Molecular informatics.

Native Electrospray Ionization Mass Spectrometry Reveals Multiple Facets of Aptamer-Ligand Interactions: From Mechanism to Binding Constants.

Petra Schneider, Gisbert Schneider, Renato Zenobi, 2018, Journal of the American Chemical Society.

Scoring of de novo Designed Chemical Entities by Macromolecular Target Prediction

Petra Schneider, Gisbert Schneider, Jan A Hiss, 2017, Molecular informatics.

From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design.

Petra Schneider, Gisbert Schneider, Lukas Friedrich, 2016, Angewandte Chemie.

Matrix‐based Molecular Descriptors for Prospective Virtual Compound Screening

Roberto Todeschini, Petra Schneider, Gisbert Schneider, 2017, Molecular informatics.

Target Profile Prediction and Practical Evaluation of a Biginelli-Type Dihydropyrimidine Compound Library

Petra Schneider, Gisbert Schneider, Michael Reutlinger, 2011, Pharmaceuticals.

Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions.

Petra Schneider, Gisbert Schneider, Jan A Hiss, 2012, Angewandte Chemie.

Coping with polypharmacology by computational medicinal chemistry.

Petra Schneider, Gisbert Schneider, Daniel Reker, 2014, Chimia.

Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.

Markus Hartenfeller, Petra Schneider, Gisbert Schneider, 2011, Future medicinal chemistry.

Privileged Structures Revisited

Petra Schneider, Gisbert Schneider, G. Schneider, 2017, Angewandte Chemie.

Common non-epigenetic drugs as epigenetic modulators.

Jörn Lötsch, Petra Schneider, Gisbert Schneider, 2013, Trends in molecular medicine.

Counting on natural products for drug design.

Petra Schneider, Gisbert Schneider, Daniel Reker, 2016, Nature chemistry.

Multidimensional Design of Anticancer Peptides.

Petra Schneider, Gisbert Schneider, Jan A Hiss, 2015, Angewandte Chemie.

Multi-objective molecular de novo design by adaptive fragment prioritization.

Petra Schneider, Gisbert Schneider, Michael Reutlinger, 2014, Angewandte Chemie.

Revealing the macromolecular targets of complex natural products.

Petra Schneider, Gisbert Schneider, Daniel Reker, 2014, Nature chemistry.

Self-organizing molecular fingerprints: a ligand-based view on drug-like chemical space and off-target prediction.

Petra Schneider, Gisbert Schneider, G. Schneider, 2009, Future medicinal chemistry.

Scaffold-Hopping: How Far Can You Jump

Petra Schneider, Gisbert Schneider, Steffen Renner, 2006 .

Dual-display of small molecules enables the discovery of ligand pairs and facilitates affinity maturation.

Petra Schneider, Dario Neri, Jörg Scheuermann, 2015, Nature chemistry.