Djork-Arné Clevert

Pfizer (Germany) — Germany

Computer Science · Physical Sciences

25h-index10.9kcitations114works5.82yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(61), Machine Learning in Materials Science(38), Gene expression and cancer classification(19), Protein Structure and Dynamics(14), Cell Image Analysis Techniques(11)

Publications113 total

De novo molecular structure elucidation from mass spectra via flow matching
ArXiv.org·2026Open Access
De novo molecular structure elucidation from mass spectra via flow matching
arXiv (Cornell University)·2026Open Access
Coupled Fragment-Based Generative Modeling with Stochastic Interpolants
2025Open Access
Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
arXiv (Cornell University)·2025Open Access
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
arXiv (Cornell University)·2025· 1 citedOpen Access
Large-scale experimental validation of phenotype-guided generative AI for de novo drug discovery
2025Open Access
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery
Journal of Chemical Information and Modeling·2025· 21 citedOpen Access
S25-01 Beyond the flatland: improving toxicity assessment with molecular 3D information
Toxicology Letters·2025
Advanced machine learning for innovative drug discovery
Journal of Cheminformatics·2025· 2 citedOpen Access
Fast and scalable retrosynthetic planning with a transformer neural network and speculative beam search
arXiv (Cornell University)·2025Open Access
Protein–ligand data at scale to support machine learning
Nature Reviews Chemistry·2025· 7 cited
Synthesis Planning in Reaction Space: A Study on Success, Robustness and Diversity
2025Open Access
Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning
Journal of Cheminformatics·2025· 1 citedOpen Access
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
Chemical Research in Toxicology·2025· 50 citedOpen Access
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design
Journal of Cheminformatics·2025· 6 citedOpen Access
Accelerating the inference of string generation-based chemical reaction models for industrial applications
Journal of Cheminformatics·2025· 2 citedOpen Access
Multi-objective synthesis planning by means of Monte Carlo Tree search
Artificial Intelligence in the Life Sciences·2025· 2 citedOpen Access
Diffusion Generative Modeling on Lie Group Representations
arXiv (Cornell University)·2025Open Access
Synthesis Planning in Reaction Space: A Study on Success, Robustness and Diversity
Digital Discovery·2025Open Access
CEUS: A SAFE ALTERNATIVE TO CT AND MRI DURING PREGNANCY
Ultrasound in Medicine & Biology·2025
page 1 of 6Next →

Frequent Co-authors

Sepp Hochreiter(14), Günter Klambauer(6), Robin Winter(6), Floriane Montanari(6), Willem Talloen(6), Hinrich W. H. Göhlmann(6), Ola Engkvist(6), Andreas Mayr(5), Frank Noé(5), David Rouquié(5), Tuan Le(5), Thomas Unterthiner(4), Andreas Mitterecker(4), Oscar Méndez‐Lucio(4), Joerg Wichard(4), Luc Bijnens(4), Andreas Steffen(4), Paula Andrea Marin Zapata(4), W. Patrick Walters(4), Yang Liao(3)