World's Best Scientists 2026 revealed!

D-Index & Metrics

Computer Science

D-Index
65
Citations
16493
World Ranking
2462
National Ranking
139

Overview

Andreas Bender is affiliated with the University of Cambridge in the United Kingdom and has a significant research presence in the intersection of biochemistry, genetics, molecular biology, and computer science. Their research contributions span several fields with a concentration in molecular biology and computational theory and mathematics. This multidisciplinary approach supports a focus on computational drug discovery methods, cell image analysis techniques, and machine learning applications in materials science.

The scientist's work addresses important topics such as pharmacogenetics and drug metabolism, bioinformatics and genomic networks, metabolomics and mass spectrometry studies, and protein structure and dynamics. Their research outputs reflect a sustained engagement with the chemical sciences and drug discovery domains, particularly leveraging machine learning and artificial intelligence methods.

Recent papers authored by Andreas Bender include:

  • Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet (2020, Drug Discovery Today)
  • Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data (2021, Drug Discovery Today)
  • Evaluation guidelines for machine learning tools in the chemical sciences (2022, Nature Reviews Chemistry)

Among frequent co-authors associated with the scientist are Srijit Seal, Ola Spjuth, Maria-Anna Trapotsi, Jordi Carreras-Puigvert, and Anne E. Carpenter. These collaborative relationships contribute to the interdisciplinary nature of the researcher's work.

The publication venues where Andreas Bender has contributed extensively include bioRxiv (Cold Spring Harbor Laboratory), arXiv (Cornell University), Zenodo (CERN European Organization for Nuclear Research), Journal of Cheminformatics, and Journal of Chemical Information and Modeling. These platforms reflect a broad dissemination strategy across preprint servers and peer-reviewed journals prioritized in computational and chemical sciences.

Best Publications

  • Molecular similarity: a key technique in molecular informatics.

    Andreas Bender;Robert C. Glen

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

    Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey

  • DeepSynergy: predicting anti-cancer drug synergy with Deep Learning.

    Kristina Preuer;Richard P I Lewis;Sepp Hochreiter;Andreas Bender

  • Recognizing Pitfalls in Virtual Screening: A Critical Review

    Thomas Scior;Andreas Bender;Gary Tresadern;José L. Medina-Franco

  • Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance

    Andreas Bender;Hamse Y. Mussa;Robert C. Glen;Stephan Reiling

  • Integrating high-content screening and ligand-target prediction to identify mechanism of action

    Daniel W. Young;Andreas Bender;Jonathan Hoyt;Elizabeth McWhinnie

  • Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure.

    Andreas Bender;Josef Scheiber;Meir Glick;John W. Davies

  • Diversity-oriented synthesis; a spectrum of approaches and results

    Richard J. Spandl;Andreas Bender;David R. Spring

  • How similar are similarity searching methods? A principal component analysis of molecular descriptor space

    Andreas Bender;Jeremy L. Jenkins;Josef Scheiber;Sai Chetan K. Sukuru

  • From in silico target prediction to multi-target drug design: Current databases, methods and applications

    Alexios Koutsoukas;Benjamin Simms;Johannes Kirchmair;Peter J. Bond

  • Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.

    Johannes Kirchmair;Mark J. Williamson;Jonathan D Tyzack;Lu Ping Tan

  • Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds

    Yan Feng;Timothy J. Mitchison;Andreas Bender;Daniel W. Young

  • Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier

    Andreas Bender;Hamse Y. Mussa;Robert C. Glen;Stephan Reiling

  • Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet

    Andreas Bender;Andreas Bender;Isidro Cortés-Ciriano

  • Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

    Robert C Glem;Andreas Bender;Catrin H Arnby;Lars Carlsson

  • Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.

    James H. Nettles;Jeremy L. Jenkins;Andreas Bender;Zhan Deng

  • Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization.

    Florian Nigsch;Andreas Bender;Bernd van Buuren;Jos Tissen

  • In silico target fishing: Predicting biological targets from chemical structure

    Jeremy L. Jenkins;Andreas Bender;John W. Davies

  • A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication.

    Andreas Bender;Robert C. Glen

  • Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data

    Kamal Azzaoui;Jacques Hamon;Bernard Faller;Steven Whitebread

  • Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

    Gerard J. P. van Westen;Jörg K. Wegner;Adriaan P. IJzerman;Herman W. T. van Vlijmen

  • Mapping adverse drug reactions in chemical space.

    Josef Scheiber;Jeremy L. Jenkins;Sai Chetan K. Sukuru;Andreas Bender

  • Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis.

    Josef Scheiber;Bin Chen;Mariusz Milik;Sai Chetan K. Sukuru

Frequent Co-Authors

Adriaan P. IJzerman
Adriaan P. IJzerman Leiden University
N. W. Halverson
N. W. Halverson University of Colorado Boulder
Ola Engkvist
Ola Engkvist AstraZeneca (United Kingdom)
Adrian T. Lee
Adrian T. Lee University of California, Berkeley
Laszlo Urban
Laszlo Urban Novartis (Switzerland)
John E. Carlstrom
John E. Carlstrom University of Chicago
Christian L. Reichardt
Christian L. Reichardt University of Melbourne
Michael Emmerich
Michael Emmerich Leiden University
Feng Li
Feng Li Shandong University

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