Andreas Bender

ORCID

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 47

Top Venues

Publications

Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design. J. Cheminformatics 16 (1) (2024)
Elsa Lawrence, Adham El-Shazly, Srijit Seal, Chaitanya K. Joshi, Pietro Liò, Shantanu Singh, Andreas Bender, Pietro Sormanni, Matthew Greenig
Understanding Biology in the Age of Artificial Intelligence. CoRR (2024)
Srijit Seal, Ola Spjuth, Layla Hosseini-Gerami, Miguel García-Ortegón, Shantanu Singh, Andreas Bender, Anne E. Carpenter
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank. J. Chem. Inf. Model. 64 (4) (2024)
S. Sina Ziaee, Hossein Rahmani, Mina Tabatabaei, Anna H. C. Vlot, Andreas Bender
DCGG: drug combination prediction using GNN and GAE. Prog. Artif. Intell. 13 (1) (2024)
Arushi G. K. Majha, Ian Stott, Andreas Bender
On Modelability and Generalizability: Are Machine Learning Models for Drug Synergy Exploiting Artefacts and Biases in Available Data? MLCB (2023)
Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design. J. Chem. Inf. Model. 62 (15) (2022)
Milad Allahgholi, Hossein Rahmani, Delaram Javdani, Zahra Sadeghi-Adl, Andreas Bender, Dezsö Módos, Gerhard Weiss
DDREL: From drug-drug relationships to drug repurposing. Intell. Data Anal. 26 (1) (2022)
Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation. J. Cheminformatics 14 (1) (2022)
Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf
Re-evaluating sample efficiency in de novo molecule generation. CoRR (2022)
Miguel Garcia-Ortegon, Andreas Bender, Sergio Bacallado
Conditional Neural Processes for Molecules. CoRR (2022)
Stephen Bonner, Ian P. Barrett, Cheng Ye, Rowan Swiers, Ola Engkvist, Andreas Bender, Charles Tapley Hoyt, William L. Hamilton
A review of biomedical datasets relating to drug discovery: a knowledge graph perspective. Briefings Bioinform. 23 (6) (2022)
Maria-Anna Trapotsi, Lewis H. Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Ian P. Barrett, Andreas Bender
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions. J. Chem. Inf. Model. 61 (3) (2021)
Morgan Thomas, Robert T. Smith, Noel M. O'Boyle, Chris de Graaf, Andreas Bender
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study. J. Cheminformatics 13 (1) (2021)
Leen Kalash, Ian Winfield, Dewi Safitri, Marcel Bermudez, Sabrina Carvalho, Robert C. Glen, Graham Ladds, Andreas Bender
R and PDE10A with anti-proliferative effects in lung cancer cell-lines. J. Cheminformatics 13 (1) (2021)
Stephen Bonner, Ian P. Barrett, Cheng Ye, Rowan Swiers, Ola Engkvist, Andreas Bender, William L. Hamilton
A Review of Biomedical Datasets Relating to Drug Discovery: A Knowledge Graph Perspective. CoRR (2021)
Lewis H. Mervin, Maria-Anna Trapotsi, Avid M. Afzal, Ian P. Barrett, Andreas Bender, Ola Engkvist
Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty. J. Cheminformatics 13 (1) (2021)
Lewis H. Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions. J. Chem. Inf. Model. 60 (10) (2020)
Hamid Bashiri, Hossein Rahmani, Vahid Bashiri, Dezsö Módos, Andreas Bender
EMDIP: An Entropy Measure to Discover Important Proteins in PPI networks. Comput. Biol. Medicine 120 (2020)
Ctibor Skuta, Isidro Cortes-Ciriano, Wim Dehaen, Pavel Kríz, Gerard J. P. van Westen, Igor V. Tetko, Andreas Bender, Daniel Svozil
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping. J. Cheminformatics 12 (1) (2020)
Isidro Cortés-Ciriano, Ctibor Skuta, Andreas Bender, Daniel Svozil
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction. J. Cheminformatics 12 (1) (2020)
Iñigo Ayestaran, Ana Galhoz, Elmar Spiegel, Ben Sidders, Jonathan R. Dry, Frank Dondelinger, Andreas Bender, Ultan McDermott, Francesco Iorio, Michael P. Menden
Identification of Intrinsic Drug Resistance and Its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens. Patterns 1 (5) (2020)
Isidro Cortés-Ciriano, Andreas Bender
Concepts and Applications of Conformal Prediction in Computational Drug Discovery. CoRR (2019)
Erin Oerton, Ian Roberts, Patrick S. H. Lewis, Tim Guilliams, Andreas Bender
Understanding and predicting disease relationships through similarity fusion. Bioinform. 35 (7) (2019)
Isidro Cortes-Ciriano, Andreas Bender
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images. J. Cheminformatics 11 (1) (2019)
Chad H. G. Allen, Lewis H. Mervin, Samar Y. Mahmoud, Andreas Bender
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity. J. Cheminformatics 11 (1) (2019)
Isidro Cortes-Ciriano, Andreas Bender
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout. CoRR (2019)
Isidro Cortés-Ciriano, Andreas Bender
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout. J. Chem. Inf. Model. 59 (7) (2019)
Isidro Cortés-Ciriano, Andreas Bender
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks. J. Chem. Inf. Model. 59 (3) (2019)
Shardul Paricharak, Oscar Méndez-Lucio, Aakash Chavan Ravindranath, Andreas Bender, Adriaan P. IJzerman, Gerard J. P. van Westen
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening. Briefings Bioinform. 19 (2) (2018)
Kristina Preuer, Richard P. I. Lewis, Sepp Hochreiter, Andreas Bender, Krishna C. Bulusu, Günter Klambauer
DeepSynergy: predicting anti-cancer drug synergy with Deep Learning. Bioinform. 34 (9) (2018)
Fredrik Svensson, Avid M. Afzal, Ulf Norinder, Andreas Bender
Maximizing gain in high-throughput screening using conformal prediction. J. Cheminformatics 10 (1) (2018)
Kathryn A. Giblin, Samantha J. Hughes, Helen Boyd, Pia Hansson, Andreas Bender
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins. J. Chem. Inf. Model. 58 (9) (2018)
Lewis H. Mervin, Krishna C. Bulusu, Leen Kalash, Avid M. Afzal, Fredrik Svensson, Mike A. Firth, Ian P. Barrett, Ola Engkvist, Andreas Bender
Orthologue chemical space and its influence on target prediction. Bioinform. 34 (1) (2018)
Isidro Cortés-Ciriano, Nicholas C. Firth, Andreas Bender, Oliver P. Watson
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening. J. Chem. Inf. Model. 58 (9) (2018)
Yue Kong, Andreas Bender, Aixia Yan
Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening. J. Chem. Inf. Model. 58 (1) (2018)
Isidro Cortes-Ciriano, Andreas Bender
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Errors for Deep Neural Networks. CoRR (2018)
Fredrik Svensson, Natália Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty. J. Chem. Inf. Model. 58 (5) (2018)
Isidro Cortes-Ciriano, Andreas Bender
KekuleScope: improved prediction of cancer cell line sensitivity using convolutional neural networks trained on compound images. CoRR (2018)
Fredrik Svensson, Ulf Norinder, Andreas Bender
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction. J. Chem. Inf. Model. 57 (3) (2017)
Leen Kalash, Cristina Val, Jhonny Azuaje, María I. Loza, Fredrik Svensson, Azedine Zoufir, Lewis H. Mervin, Graham Ladds, José Brea, Robert C. Glen, Eddy Sotelo, Andreas Bender
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases. J. Cheminformatics 9 (1) (2017)
Xianjun Fu, Lewis H. Mervin, Xuebo Li, Huayun Yu, Jiaoyang Li, Siti Zuraidah Mohamad Zobir, Azedine Zoufir, Yang Zhou, Yongmei Song, Zhenguo Wang, Andreas Bender
Toward Understanding the Cold, Hot, and Neutral Nature of Chinese Medicines Using in Silico Mode-of-Action Analysis. J. Chem. Inf. Model. 57 (3) (2017)
Stephanie K. Ashenden, Thierry Kogej, Ola Engkvist, Andreas Bender
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published? J. Chem. Inf. Model. 57 (11) (2017)
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Guillaume Bouvier, Michael Nilges, John P. Overington, Andreas Bender, Thérèse E. Malliavin
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel. Bioinform. 32 (1) (2016)
Natália Aniceto, Alex Alves Freitas, Andreas Bender, Taravat Ghafourian
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood. J. Cheminformatics 8 (1) (2016)
Hossein Rahmani, Hendrik Blockeel, Andreas Bender
Using a Human Drug Network for generating novel hypotheses about drugs. Intell. Data Anal. 20 (1) (2016)
Shardul Paricharak, Adriaan P. IJzerman, Jeremy L. Jenkins, Andreas Bender, Florian Nigsch
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening. J. Chem. Inf. Model. 56 (9) (2016)
Hossein Rahmani, Gerhard Weiss, Oscar Méndez-Lucio, Andreas Bender
ARWAR: A network approach for predicting Adverse Drug Reactions. Comput. Biol. Medicine 68 (2016)
Isidro Cortes-Ciriano, Andreas Bender
Improved Chemical Structure-Activity Modeling Through Data Augmentation. J. Chem. Inf. Model. 55 (12) (2015)
Oscar Méndez-Lucio, Albert J. Kooistra, Chris de Graaf, Andreas Bender, José L. Medina-Franco
Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs. J. Chem. Inf. Model. 55 (2) (2015)
Hossein Rahmani, Hendrik Blockeel, Andreas Bender
Using a Human Disease Network for augmenting prior knowledge about diseases. Intell. Data Anal. 19 (4) (2015)
Isidro Cortes-Ciriano, Daniel S. Murrell, Gerard J. P. van Westen, Andreas Bender, Thérèse E. Malliavin
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling. J. Cheminformatics 7 (2015)
Shardul Paricharak, Isidro Cortes-Ciriano, Adriaan P. IJzerman, Therese E. Malliavin, Andreas Bender
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules. J. Cheminformatics 7 (2015)
Isidro Cortes-Ciriano, Andreas Bender, Thérèse E. Malliavin
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets. J. Chem. Inf. Model. 55 (7) (2015)
Lewis H. Mervin, Avid M. Afzal, Georgios Drakakis, Richard Lewis, Ola Engkvist, Andreas Bender
Target prediction utilising negative bioactivity data covering large chemical space. J. Cheminformatics 7 (2015)
Daniel S. Murrell, Isidro Cortes-Ciriano, Gerard J. P. van Westen, Ian Stott, Andreas Bender, Thérèse E. Malliavin, Robert C. Glen
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules. J. Cheminformatics 7 (2015)
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Daniel S. Murrell, Eelke B. Lenselink, Andreas Bender, Therese E. Malliavin
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling. BMC Bioinform. 16 (S-3) (2015)
Lora Mak, David Marcus, Andrew Howlett, Galina Yarova, Guus Duchateau, Werner Klaffke, Andreas Bender, Robert C. Glen
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J. Cheminformatics 7 (2015)
Richard Lewis, Rajarshi Guha, Tamás Korcsmáros, Andreas Bender
Synergy Maps: exploring compound combinations using network-based visualization. J. Cheminformatics 7 (2015)
Avid M. Afzal, Hamse Y. Mussa, Richard E. Turner, Andreas Bender, Robert C. Glen
A multi-label approach to target prediction taking ligand promiscuity into account. J. Cheminformatics 7 (2015)
Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender
Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window". J. Chem. Inf. Model. 54 (7) (2014)
Alexios Koutsoukas, Shardul Paricharak, Warren R. J. D. Galloway, David R. Spring, Adriaan P. IJzerman, Robert C. Glen, David Marcus, Andreas Bender
How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space. J. Chem. Inf. Model. 54 (1) (2014)
Avid M. Afzal, Hamse Y. Mussa, Richard E. Turner, Andreas Bender, Robert C. Glen
Target Fishing: A Single-Label or Multi-Label Problem? CoRR (2014)
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Eelke B. Lenselink, Daniel S. Murrell, Andreas Bender, Thérèse E. Malliavin
Proteochemometric modeling in a Bayesian framework. J. Cheminformatics 6 (1) (2014)
Isidro Cortes-Ciriano, Alexios Koutsoukas, Olga Abian, Andreas Bender, Adrian Velazquez-Campoy
Experimental validation of in silico target predictions on synergistic protein targets. J. Cheminformatics 5 (S-1) (2013)
Gerard J. P. van Westen, Remco F. Swier, Jörg K. Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets. J. Cheminformatics 5 (2013)
Gerard J. P. van Westen, Remco F. Swier, Isidro Cortes-Ciriano, Jörg K. Wegner, John P. Overington, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J. Cheminformatics 5 (2013)
Fazlin Fauzi, Alexios Koutsoukas, Robert Lowe, Kalpana Joshi, Tai-Ping Fan, Andreas Bender
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines. J. Cheminformatics 5 (S-1) (2013)
Rogier J. P. van Berlo, Wynand Winterbach, Marco J. L. de Groot, Andreas Bender, Peter J. T. Verheijen, Marcel J. T. Reinders, Dick de Ridder
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels. Int. J. Bioinform. Res. Appl. 9 (4) (2013)
Fazlin Fauzi, Alexios Koutsoukas, Robert Lowe, Kalpana Joshi, Tai-Ping Fan, Robert C. Glen, Andreas Bender
Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines. J. Chem. Inf. Model. 53 (3) (2013)
Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window. J. Chem. Inf. Model. 53 (8) (2013)
Sonia Liggi, Alexios Koutsoukas, Yasaman Motamedi, Robert C. Glen, Andreas Bender
Annotating targets with pathways: extending approaches to mode of action analysis. J. Cheminformatics 5 (S-1) (2013)
Gerard J. P. van Westen, Alwin Hendriks, Jörg K. Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender
Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data. PLoS Comput. Biol. 9 (2) (2013)
Alexios Koutsoukas, Rubben Torella, George Drakakis, Andreas Bender, Robert C. Glen
Relating GPCRs pharmacological space based on ligands chemical similarities. J. Cheminformatics 5 (S-1) (2013)
Shardul Paricharak, Tom Klenka, Martin Augustin, Umesh A. Patel, Andreas Bender
Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization. J. Cheminformatics 5 (S-1) (2013)
Shardul Paricharak, Tom Klenka, Martin Augustin, Umesh A. Patel, Andreas Bender
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases. J. Cheminformatics 5 (2013)
Georgios Drakakis, Alexios Koutsoukas, Suzanne Clare Brewerton, David A. Evans, Andreas Bender
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model. J. Cheminformatics 5 (S-1) (2013)
Thomas Scior, Andreas Bender, Gary Tresadern, José L. Medina-Franco, Karina Martínez-Mayorga, Thierry Langer, Karina Cuanalo-Contreras, Dimitris K. Agrafiotis
Recognizing Pitfalls in Virtual Screening: A Critical Review. J. Chem. Inf. Model. 52 (4) (2012)
Jörg K. Wegner, Aaron D. Sterling, Rajarshi Guha, Andreas Bender, Jean-Loup Faulon, Janna Hastings, Noel M. O'Boyle, John P. Overington, Herman van Vlijmen, Egon L. Willighagen
Cheminformatics. Commun. ACM 55 (11) (2012)
Florian D. Roessler, Oliver Korb, Andreas Bender, Werner Maentele, Peter J. Bond
Molecular dynamics simulations and docking of non-nucleoside reverse transcriptase inhibitors (NNRTIs): a possible approach to personalized HIV treatment. J. Cheminformatics 4 (S-1) (2012)
Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms. J. Chem. Inf. Model. 52 (3) (2012)
Eelke van der Horst, Patricia Marqués-Gallego, Thea Mulder-Krieger, Jacobus van Veldhoven, Johannes W. Kruisselbrink, Alexander Aleman, Michael T. M. Emmerich, Johannes Brussee, Andreas Bender, Adriaan P. IJzerman
Multi-Objective Evolutionary Design of Adenosine Receptor Ligands. J. Chem. Inf. Model. 52 (7) (2012)
Hossein Rahmani, Hendrik Blockeel, Andreas Bender
Collaboration-Based Function Prediction in Protein-Protein Interaction Networks. IDA (2011)
Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3 (S-1) (2011)
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25 (6) (2011)
Zhi Wang, Yuanying Chen, Hu Liang, Andreas Bender, Robert C. Glen, Aixia Yan
P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set. J. Chem. Inf. Model. 51 (6) (2011)
Julio E. Peironcely, Andreas Bender, Miguel Rojas-Chertó, Theo H. Reijmers, Leon Coulier, Thomas Hankemeier
Expanding and understanding metabolite space. J. Cheminformatics 2 (S-1) (2010)
Eelke van der Horst, Julio E. Peironcely, Adriaan P. IJzerman, Margot W. Beukers, Jonathan Robert Lane, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Yasushi Okuno, Andreas Bender
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization. BMC Bioinform. 11 (2010)
Gerard J. P. van Westen, Jörg K. Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender
Molecular bioactivity extrapolation to novel targets by support vector machines. J. Cheminformatics 2 (S-1) (2010)
Olaf van den Hoven, Gerard J. P. van Westen, Andreas Bender
Predicting the binding type of compounds on the 4 adenosine receptors using proteochemometric models. J. Cheminformatics 2 (S-1) (2010)
Eelke van der Horst, Johannes W. Kruisselbrink, Alexander Aleman, Michael T. M. Emmerich, Andreas Bender, Adriaan P. IJzerman
Evolutionary design of selective adenosine receptor ligands. J. Cheminformatics 2 (S-1) (2010)
Johannes W. Kruisselbrink, Michael T. M. Emmerich, Thomas Bäck, Andreas Bender, Adriaan P. IJzerman, Eelke van der Horst
Combining Aggregation with Pareto Optimization: A Case Study in Evolutionary Molecular Design. EMO (2009)
Munikumar R. Doddareddy, Gerard J. P. van Westen, Eelke van der Horst, Julio E. Peironcely, Frans Corthals, Adriaan P. IJzerman, Michael Emmerich, Jeremy L. Jenkins, Andreas Bender
Chemogenomics: Looking at biology through the lens of chemistry. Stat. Anal. Data Min. 2 (3) (2009)
Eelke van der Horst, Yasushi Okuno, Andreas Bender, Adriaan P. IJzerman
Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner. J. Chem. Inf. Model. 49 (2) (2009)
Johannes W. Kruisselbrink, Alexander Aleman, Michael T. M. Emmerich, Adriaan P. IJzerman, Andreas Bender, Thomas Bäck, Eelke van der Horst
Enhancing search space diversity in multi-objective evolutionary drug molecule design using niching. GECCO (2009)
Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics. J. Chem. Inf. Model. 48 (12) (2008)
Fabrice Colas, Ingrid Meulenbelt, Jeanine J. Houwing-Duistermaat, Margreet Kloppenburg, Iain Watt, Stephanie M. van Rooden, Martine Visser, Johan Marinus, Edward O. Cannon, Andreas Bender, Jacobus J. van Hilten, P. Eline Slagboom, Joost N. Kok
A Scenario Implementation in Rfor SubtypeDiscoveryExamplified on Chemoinformatics Data. ISoLA (2008)
Edward O. Cannon, Ata Amini, Andreas Bender, Michael J. E. Sternberg, Stephen H. Muggleton, Robert C. Glen, John B. O. Mitchell
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds. J. Comput. Aided Mol. Des. 21 (5) (2007)
Florian Nigsch, Andreas Bender, Bernd van Buuren, Jos Tissen, Eduard Nigsch, John B. O. Mitchell
-Nearest Neighbor Algorithms and Genetic Parameter Optimization. J. Chem. Inf. Model. 46 (6) (2006)
Alireza Givehchi, Andreas Bender, Robert C. Glen
Analysis of Activity Space by Fragment Fingerprints, 2D Descriptors, and Multitarget Dependent Transformation of 2D Descriptors. J. Chem. Inf. Model. 46 (3) (2006)
Sarah Rodgers, Robert C. Glen, Andreas Bender
Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model. J. Chem. Inf. Model. 46 (2) (2006)

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Publication Activity (10 Years)

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Andreas Bender