Andreas Bender

发表

Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions

Ola Engkvist, Lewis Mervin, Avid M Afzal, 2020, J. Chem. Inf. Model..

Toward Understanding the Cold, Hot, and Neutral Nature of Chinese Medicines Using in Silico Mode-of-Action Analysis

Yang Zhou, Andreas Bender, Xianjun Fu, 2017, J. Chem. Inf. Model..

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, Journal of Cheminformatics.

Cheminformatics

Egon L. Willighagen, Rajarshi Guha, John P. Overington, 2012, CACM.

KekuleScope: improved prediction of cancer cell line sensitivity using convolutional neural networks trained on compound images pdf

Isidro Cortes-Ciriano, Andreas Bender, 2018, ArXiv.

A Scenario Implementation in Rfor SubtypeDiscoveryExamplified on Chemoinformatics Data

Joost N. Kok, Jeanine J. Houwing-Duistermaat, Andreas Bender, 2008, ISoLA.

Concepts and Applications of Conformal Prediction in Computational Drug Discovery pdf

Andreas Bender, Isidro Cortés-Ciriano, A. Bender, 2019, ArXiv.

Drug Combination Modeling

Andreas Bender, Anna H.C. Vlot, Dan Mason, 2020 .

Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR

Robert C. Glen, Jeremy L. Jenkins, Andreas Bender, 2006, Annual Reports in Computational Chemistry.

Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2019, J. Chem. Inf. Model..

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Igor V. Tetko, Antony J. Williams, Artem Cherkasov, 2011, Journal of Cheminformatics.

Multi-Objective Evolutionary Design of Adenosine Receptor Ligands

Michael T. M. Emmerich, Adriaan P. IJzerman, Eelke van der Horst, 2012, J. Chem. Inf. Model..

Proteochemometric modeling in a Bayesian framework

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2014, Journal of Cheminformatics.

Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening

Gerard J. P. van Westen, Shardul Paricharak, Adriaan P. IJzerman, 2016, Briefings Bioinform..

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Igor V. Tetko, Antony J. Williams, Artem Cherkasov, 2011, J. Comput. Aided Mol. Des..

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, Journal of Cheminformatics.

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, BMC Bioinformatics.

Semi-Structured Deep Piecewise Exponential Models pdf

Bernd Bischl, Christian Wachinger, Andreas Bender, 2020, SPACA.

mlr3proba: an R package for machine learning in survival analysis

Bernd Bischl, Andreas Bender, Michel Lang, 2020, Bioinform..

Improved Chemical Structure-Activity Modeling Through Data Augmentation

Isidro Cortes-Ciriano, Andreas Bender, A. Bender, 2015, J. Chem. Inf. Model..

Bayesian "Now-Cast" Estimation of Event Probabilities in Multi-Party Democracies [R package coalitions version 0.6.15]

Andreas Bender, Alexander Bauer, 2020 .

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

Isidro Cortes-Ciriano, Gerard J. P. van Westen, John P. Overington, 2013, Journal of Cheminformatics.

Consciousness Indexing and Outcome Prediction with Resting-State EEG in Severe Disorders of Consciousness

Andreas Bender, Jonathan P. Shock, Sabina Stefan, 2018, Brain Topography.

A General Machine Learning Framework for Survival Analysis pdf

Bernd Bischl, Andreas Bender, Fabian Scheipl, 2020, ECML/PKDD.

Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules

Isidro Cortes-Ciriano, Therese E. Malliavin, Shardul Paricharak, 2015, Journal of Cheminformatics.

EMDIP: An Entropy Measure to Discover Important Proteins in PPI networks

Andreas Bender, Hossein Rahmani, Dezső Módos, 2020, Comput. Biol. Medicine.

Outcome prediction with serial neuron-specific enolase and machine learning in anoxic-ischaemic disorders of consciousness

Andreas Bender, Bubacarr Bah, Jonathan P. Shock, 2019, Comput. Biol. Medicine.

Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs

Andreas Bender, Oscar Méndez-Lucio, Albert J. Kooistra, 2015, J. Chem. Inf. Model..

Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs

José L. Medina-Franco, Andreas Bender, Richard A. Houghten, 2009, J. Chem. Inf. Model..

mlr3proba: Machine Learning Survival Analysis in R pdf

Bernd Bischl, Andreas Bender, Michel Lang, 2020, ArXiv.

Cancer Cell Line Profiler (CCLP): a webserver for the prediction of compound activity across the NCI60 panel

Isidro Cortes-Ciriano, Andreas Bender, Pedro J. Ballester, 2017 .

Additional file 1: of Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling

Robert C. Glen, David Marcus, Andreas Bender, 2015 .

Andreas Bender, Stephan Reiling, Robert C. Glen, 2004, J. Chem. Inf. Model..

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets

Isidro Cortes-Ciriano, Therese E. Malliavin, Andreas Bender, 2015, J. Chem. Inf. Model..

ARWAR: A network approach for predicting Adverse Drug Reactions

Andreas Bender, Oscar Méndez-Lucio, Hossein Rahmani, 2016, Comput. Biol. Medicine.

Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner

Adriaan P. IJzerman, Eelke van der Horst, Andreas Bender, 2009, J. Chem. Inf. Model..

Evaluation of survival distribution predictions with discrimination measures pdf

Andreas Bender, Raphael Sonabend, Sebastian Vollmer, 2021, ArXiv.

Mundus Vult Decipi, Ergo Decipiatur: Visual Communication of Uncertainty in Election Polls

Andreas Bender, Helmut Küchenhoff, André Klima, 2021, PS: Political Science & Politics.

Recurrent events analysis with piece-wise exponential additive mixed models

Andreas Bender, J Ramjith, Roes Kcb, 2021, Statistical Modelling.

pammtools: Piece-wise exponential Additive Mixed Modeling tools

Andreas Bender, Fabian Scheipl, Andreas Bender, 2018, 1806.01042.