Andreas Bender

MRC Laboratory of Molecular Biology — United Kingdom

Computer Science · Physical Sciences

70h-index18.2kcitations537works8.52yr avg
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Research Topics

Computational Drug Discovery Methods(301), Bioinformatics and Genomic Networks(52), Machine Learning in Materials Science(52), Metabolomics and Mass Spectrometry Studies(50), Cell Image Analysis Techniques(43)

Publications535 total

Decoding non-coding SNPs: systems genomics modelling dissects the heterogeneity of IBD
Molecular Systems Biology·2025Open Access
AI Agents in Drug Discovery
arXiv (Cornell University)·2025Open Access
Ontology based ethnobotany data to support natural product- based drug discovery – growth of data, large-scale insights and case studies
Phytochemistry Letters·2025
PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules
Journal of Cheminformatics·2025· 4 citedOpen Access
Author response for "Transfer learning enables discovery of sub-micromolar antibacterials for ESKAPE pathogens from ultra-large chemical spaces"
2025
Transfer learning enables discovery of sub-micromolar antibacterials for ESKAPE pathogens from ultra-large chemical spaces
2025Open Access
Reduction Techniques for Survival Analysis
arXiv (Cornell University)·2025Open Access
Synthesis and Inhibitory Assessment of ACE2 Inhibitors for SARS-CoV-2: An <i>In Silico</i> and <i>In Vitro</i> Study
The Journal of Organic Chemistry·2025· 1 citedOpen Access
Computational approaches to DMPK: A realistic assessment of current methods and their practical impact. Part I: Physicochemical and in vitro properties
Drug Discovery Today·2025· 1 citedOpen Access
Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design
Nature Communications·2025· 6 citedOpen Access
Profiling crRNA architectures for enhanced Cas12 biosensing
Communications Biology·2025· 2 citedOpen Access
Enhancing Traffic Accident Classifications: Application of NLP Methods for City Safety
arXiv (Cornell University)·2025Open Access
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
Chemical Research in Toxicology·2025· 50 citedOpen Access
Small molecule bioactivity benchmarks are often well-predicted by counting cells
2025· 3 citedOpen Access
SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry
Bioinformatics·2025· 3 citedOpen Access
High‐Dimensional Variable Selection With Competing Events Using Cooperative Penalized Regression
Biometrical Journal·2025· 1 citedOpen Access
The medicinal chemist’s map to deep learning: Concepts, applications, and case studies
Elsevier eBooks·2025
Transfer learning enables discovery of sub-micromolar antibacterials for ESKAPE pathogens from ultra-large chemical spaces
Chemical Science·2025· 2 citedOpen Access
Fragment Screening Reveals Novel Scaffolds against Sirtuin-2-Related Protein 1 from <i>Trypanosoma brucei</i>
ACS Omega·2024· 1 citedOpen Access
Author Correction: Cell Painting: a decade of discovery and innovation in cellular imaging
Nature Methods·2024· 2 citedOpen Access
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Frequent Co-authors

Jeremy L. Jenkins(10), Robert C. Glen(8), Meir Glick(7), John W. Davies(7), Isidro Cortés‐Ciriano(6), Gerard J. P. van Westen(5), Josef Scheiber(4), Khalil Azzaoui(4), Jacques Hamon(4), László Urbán(4), Steven Whitebread(4), David R. Spring(4), Adriaan P. IJzerman(4), Richard P. Lewis(3), Krishna C. Bulusu(3), Hamse Y. Mussa(3), Sai Chetan K. Sukuru(3), Peter J. Bond(3), Chakrabhavi Dhananjaya Mohan(3), Shobith Rangappa(3)