Andreas Bender (A Bender)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 68

Top Topics

Machine Learning

Top Venues

Journal of chemical information and modeling

bioRxiv : the preprint server for biology

Chemical research in toxicology

Molecular pharmaceutics

This page only lists publications with an associated author ORCID identifier.

Publications

Srijit Seal, Maria-Anna Trapotsi, Ola Spjuth, Shantanu Singh, Jordi Carreras-Puigvert, Nigel Greene, Andreas Bender, Anne E Carpenter
A Decade in a Systematic Review: The Evolution and Impact of Cell Painting. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Dominic P Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology 37 (8) (2024)
Srijit Seal, Jordi Carreras-Puigvert, Shantanu Singh, Anne E Carpenter, Ola Spjuth, Andreas Bender
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability. Molecular biology of the cell 35 (3) (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology 37 (8) (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. Journal of chemical information and modeling (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology 37 (8) (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. Journal of chemical information and modeling 64 (4) (2024)
Udit Surya Saha, Christopher M Dobson, Anne E Carpenter, Shantanu Singh, Andreas Bender, Srijit Seal
Step Forward Cross Validation for Bioactivity Prediction: Out of Distribution Validation in Drug Discovery. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Dominic P Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Jordi Carreras-Puigvert, Shantanu Singh, Anne E Carpenter, Ola Spjuth, Andreas Bender
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability. Molecular biology of the cell 35 (3) (2024)
Srijit Seal, Dominic P Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data. bioRxiv : the preprint server for biology (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. Journal of chemical information and modeling (2024)
Srijit Seal, Dominic Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data. Chemical research in toxicology (2024)
Srijit Seal, Maria-Anna Trapotsi, Ola Spjuth, Shantanu Singh, Jordi Carreras-Puigvert, Nigel Greene, Andreas Bender, Anne E Carpenter
A Decade in a Systematic Review: The Evolution and Impact of Cell Painting. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Jordi Carreras-Puigvert, Shantanu Singh, Anne E Carpenter, Ola Spjuth, Andreas Bender
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability. Molecular biology of the cell 35 (3) (2024)
Srijit Seal, Maria-Anna Trapotsi, Ola Spjuth, Shantanu Singh, Jordi Carreras-Puigvert, Nigel Greene, Andreas Bender, Anne E Carpenter
A Decade in a Systematic Review: The Evolution and Impact of Cell Painting. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Jordi Carreras-Puigvert, Shantanu Singh, Anne E Carpenter, Ola Spjuth, Andreas Bender
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability. Molecular biology of the cell 35 (3) (2024)
Udit Surya Saha, Christopher M Dobson, Anne E Carpenter, Shantanu Singh, Andreas Bender, Srijit Seal
Step Forward Cross Validation for Bioactivity Prediction: Out of Distribution Validation in Drug Discovery. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Jordi Carreras-Puigvert, Shantanu Singh, Anne E Carpenter, Ola Spjuth, Andreas Bender
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability. Molecular biology of the cell 35 (3) (2024)
Srijit Seal, Maria-Anna Trapotsi, Ola Spjuth, Shantanu Singh, Jordi Carreras-Puigvert, Nigel Greene, Andreas Bender, Anne E Carpenter
A Decade in a Systematic Review: The Evolution and Impact of Cell Painting. bioRxiv : the preprint server for biology (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. Journal of chemical information and modeling 64 (4) (2024)
Srijit Seal, Dominic P Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data. bioRxiv : the preprint server for biology (2024)
Srijit Seal, Dominic P Williams, Layla Hosseini-Gerami, Manas Mahale, Anne E Carpenter, Ola Spjuth, Andreas Bender
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data. bioRxiv : the preprint server for biology (2024)
Koichi Handa, Shunta Sasaki, Satoshi Asano, Michiharu Kageyama, Takeshi Iijima, Andreas Bender
Prediction of Inhibitory Activity against the MATE1 Transporter via Combined Fingerprint- and Physics-Based Machine Learning Models. Journal of chemical information and modeling (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. Journal of chemical information and modeling 64 (4) (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. Journal of chemical information and modeling 64 (4) (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. Journal of chemical information and modeling 64 (4) (2024)
Koichi Handa, Peter Wright, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima, Andreas Bender
Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random Forest. Molecular pharmaceutics (2023)
Lavinia-Lorena Pruteanu, Andreas Bender
Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice. ACS medicinal chemistry letters 14 (4) (2023)
Koichi Handa, Peter Wright, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima, Andreas Bender
Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random Forest. Molecular pharmaceutics (2023)
Fleur M G Cornelissen, Greta Markert, Ghislaine Deutsch, Maria Antonara, Noa Faaij, Imke Bartelink, David Noske, W Peter Vandertop, Andreas Bender, Bart A Westerman
Explaining Blood-Brain Barrier Permeability of Small Molecules by Integrated Analysis of Different Transport Mechanisms. Journal of medicinal chemistry (2023)
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 DICTrank. bioRxiv : the preprint server for biology (2023)
Koichi Handa, Peter Wright, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima, Andreas Bender
Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random Forest. Molecular pharmaceutics (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. Journal of chemical information and modeling 62 (15) (2022)
Danilo Basili, Joe Reynolds, Jade Houghton, Sophie Malcomber, Bryant Chambers, Mark Liddell, Iris Muller, Andrew White, Imran Shah, Logan J Everett, Alistair Middleton, Andreas Bender
Latent Variables Capture Pathway-Level Points of Departure in High-Throughput Toxicogenomic Data. Chemical research in toxicology 35 (4) (2022)
Maria-Anna Trapotsi, Elizabeth Mouchet, Guy Williams, Tiziana Monteverde, Karolina Juhani, Riku Turkki, Filip Miljković, Anton Martinsson, Lewis H Mervin, Kenneth R Pryde, Erik Müllers, Ian Barrett, Ola Engkvist, Andreas Bender, Kevin Moreau
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature. ACS chemical biology 17 (7) (2022)
Vijay Pandey, Vijay Pandey, Han-Ming Poh, Baocheng Wang, Dukanya Dukanya, Lan Ma, Zhinan Yin, Andreas Bender, Ganga Periyasamy, Tao Zhu, Kanchugarakoppal S Rangappa, Nallur Basappa Ramachandra, Peter E Lobie
Monomerization of Homodimeric Trefoil Factor 3 (TFF3) by an Aminonitrile Compound Inhibits TFF3-Dependent Cancer Cell Survival. ACS pharmacology & translational science 5 (9) (2022)
Srijit Seal, Jordi Carreras-Puigvert, Maria-Anna Trapotsi, Hongbin Yang, Ola Spjuth, Andreas Bender
Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection. Communications biology 5 (1) (2022)
Olga Obrezanova, Anton Martinsson, Tom Whitehead, Samar Mahmoud, Andreas Bender, Filip Miljković, Piotr Grabowski, Ben Irwin, Ioana Oprisiu, Gareth Conduit, Matthew D Segall, Graham F Smith, Beth Williamson, Susanne Winiwarter, Nigel Greene
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure. Molecular pharmaceutics 19 (5) (2022)
Filip Miljković, Anton Martinsson, Olga Obrezanova, Beth Williamson, Martin Johnson, Andy Sykes, Andreas Bender, Nigel Greene
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation. Molecular pharmaceutics 18 (12) (2021)
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. Journal of chemical information and modeling 61 (3) (2021)
Srijit Seal, Hongbin Yang, Luis Vollmers, Andreas Bender
Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- and Proliferation-Related Assays. Chemical research in toxicology 34 (2) (2021)
Isidro Cortes-Ciriano, Ctibor Škuta, Andreas Bender, Daniel Svozil
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction. Journal of cheminformatics 12 (1) (2020)
Ctibor Škuta, Isidro Cortes-Ciriano, Wim Dehaen, P Kříž, Gerard 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. Journal of cheminformatics 12 (1) (2020)
Ines A Smit, Avid M Afzal, Chad H G Allen, Fredrik Svensson, Thierry Hanser, Andreas Bender
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports. Chemical research in toxicology 34 (2) (2020)
Lewis H Mervin, Avid M Afzal, Ola Engkvist, Andreas Bender
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions. Journal of chemical information and modeling 60 (10) (2020)
Kathryn A Giblin, Danilo Basili, Avid M Afzal, Lyn Rosenbrier-Ribeiro, Nigel Greene, Ian Barrett, Samantha J Hughes, Andreas Bender
New Associations between Drug-Induced Adverse Events in Animal Models and Humans Reveal Novel Candidate Safety Targets. Chemical research in toxicology 34 (2) (2020)
Samar Y Mahmoud, Fredrik Svensson, Azedine Zoufir, Dezső Módos, Avid M Afzal, Andreas Bender
Understanding Conditional Associations between ToxCast in Vitro Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods. Chemical research in toxicology 33 (1) (2019)
Isidro Cortes-Ciriano, Andreas Bender
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images. Journal of cheminformatics 11 (1) (2019)
Isidro Cortes-Ciriano, Andreas Bender
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout. Journal of chemical information and modeling 59 (7) (2019)
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. Journal of chemical information and modeling 58 (9) (2018)
Yasaman KalantarMotamedi, Richard T Eastman, Rajarashi Guha, Andreas Bender
A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria. Malaria journal 17 (1) (2018)
Fredrik Svensson, Azedine Zoufir, Samar Mahmoud, Avid M Afzal, Ines Smit, Kathryn A Giblin, Peter J Clements, Jerome T Mettetal, Amy Pointon, James S Harvey, Nigel Greene, Richard V Williams, Andreas Bender
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity. Chemical research in toxicology 31 (11) (2018)
Isidro Cortes-Ciriano, Andreas Bender
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks. Journal of chemical information and modeling 59 (3) (2018)
Isidro Cortes-Ciriano, Nicholas C Firth, Andreas Bender, Oliver Watson
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening. Journal of chemical information and modeling 58 (9) (2018)
Fredrik Svensson, Natalia Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender
Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty. Journal of chemical information and modeling 58 (5) (2018)
Fredrik Svensson, Ulf Norinder, Andreas Bender
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction. Journal of chemical information and modeling 57 (3) (2017)
Fredrik Svensson, Andreas Bender, David Bailey
Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors. Journal of medicinal chemistry 61 (4) (2017)
Yue Kong, Andreas Bender, Aixia Yan
Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening. Journal of chemical information and modeling 58 (1) (2017)
Georgios Drakakis, Keith A Wafford, Suzanne C Brewerton, Michael J Bodkin, David A Evans, Andreas Bender
Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat. ACS chemical biology 12 (6) (2017)
Daniel J Mason, Ian Stott, Stephanie Ashenden, Zohar B Weinstein, Idil Karakoc, Selin Meral, Nurdan Kuru, Andreas Bender, Murat Cokol
Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular Structure. Journal of medicinal chemistry 60 (9) (2017)
Xian-Jun 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. Journal of chemical information and modeling 57 (3) (2017)
Leen Kalash, Cristina Val, Jhonny Azuaje, María I Loza, Fredrik Svensson, Azedine Zoufir, Lewis Mervin, Graham Ladds, José Brea, Robert Glen, Eddy Sotelo, Andreas Bender
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases. Journal of cheminformatics 9 (1) (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? Journal of chemical information and modeling 57 (11) (2017)
Madeline E Kavanagh, Jude Chenge, Azedine Zoufir, Kirsty J McLean, Anthony G Coyne, Andreas Bender, Andrew W Munro, Chris Abell
Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1. Biochemistry 56 (11) (2017)