Papers matching “computational methods” 4,837
Not finding it? Sign in to also search OpenAlex live.
-
Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
0citations -
Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
0citations -
Accompanying data - Papyrus - A large scale curated dataset aimed at bioactivity predictions2024 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Adriaan P. IJzerman, Bob van de Water, Gerard J. P. van Westen
0citations -
Parallel Constrained Multi-Objective Optimization for Ship Design Damage Stability Problem with (In)Expensive Function Evaluations0citations
-
Data and code supporting: From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease2026 Zenodo (CERN European Organization for Nuclear Research) dataset Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
David Alencar Araripe, Margarita Iljin, Hester Bange, Leo Price, Rongfang Liu, Daan van der Es, +3 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +19 more
0citations -
Spectral observations at the Canary Island Long-Baseline Observatory (CILBO): calibration and datasets2023 Geoscientific instrumentation, methods and data systems article Physics and Astronomy Astro and Planetary Science Open access
Joe Zender, D. Koschny, Regina Rudawska, Salvatore Vicinanza, Stefan Loehle, Martin F. Eberhart, +5 more
0citations -
Pareto Optimization of Non-orthogonal Building Spatial Designs for Thermal and Structural Performance2026 Computational methods in applied sciences conference-paper Computer Science Advanced Multi-Objective Optimization Algorithms
Ksenia Pereverdieva, André Deutz, Tessa Ezendam, Thomas Bäck, Hèrm Hofmeyer, Michael Emmerich
0citations -
Tumor Grading via Decorrelated Sparse Survival Regression2024 European Symposium on Artificial Neural Networks, Computational Intelligence and Machine Learning (ESANN) conference-paper Mathematics Statistical Methods and Inference Open access
Benjamin Paaßen, Nadine Therese Gaisa, Mark-Sebastian Bösherz
0citations