Papers matching “computational methods” 1,065
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Neural Networks for Survival Prediction in Medicine Using Prognostic Factors: A Review and Critical Appraisal2022 Computational and Mathematical Methods in Medicine article Computer Science Machine Learning in Healthcare Open access
Georgios Kantidakis, Audinga‐Dea Hazewinkel, Marta F. Fiocco
18citations -
Large-Scale Modeling of Sparse Protein Kinase Activity Data2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Sohvi Luukkonen, Erik Meijer, Giovanni A. Tricarico, Johan Hofmans, Pieter F. W. Stouten, Gerard J. P. van Westen, +1 more
14citations -
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Lindsey Burggraaff, Eelke Bart Lenselink, Willem Jespers, Jesper E. van Engelen, Brandon J. Bongers, Marina Gorostiola González, +5 more
13citations -
Local depletion of large molecule drugs due to target binding in tissue interstitial space2024 CPT Pharmacometrics & Systems Pharmacology article Computer Science Computational Drug Discovery Methods Open access
Tatiana Zasedateleva, Stephan Schaller, Elizabeth C. M. de Lange, Wilhelmus E. A. de Witte
8citations -
People Make Better Edits: Measuring the Efficacy of LLM-Generated Counterfactually Augmented Data for Harmful Language Detection2023 Conference on Empirical Methods in Natural Language Processing (EMNLP) conference-paper Computer Science Hate Speech and Cyberbullying Detection Open access
Indira Sen, Dennis Assenmacher, Mattia Samory, Isabelle Augenstein, Wil M. P. van der Aalst, Claudia Wagner
8citations -
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
8citations -
Toward target 2035: EUbOPEN - a public–private partnership to enable & unlock biology in the open2024 RSC Medicinal Chemistry article Computer Science Computational Drug Discovery Methods Open access
Claudia Tredup, Suzanne Z. Ackloo, Hartmut Beck, Peter J. Brown, Alex N. Bullock, Alessio Ciulli, +28 more
6citations -
MEFT: Memory-Efficient Fine-Tuning through Sparse Adapter2024 Annual Meeting of the Association for Computational Linguistics (ACL) conference-paper Computer Science Domain Adaptation and Few-Shot Learning Open access
Jitai Hao, Weiwei Sun, Xin Xin, Qi Meng, Zhumin Chen, Pengjie Ren, +1 more
6citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Gabriela Moisescu-Pareja, Oleksandr Dymov, Samuel Maddrell-Mander, +26 more
6citations -
Multi-objective synthesis planning by means of Monte Carlo Tree search2025 Artificial Intelligence in the Life Sciences article Computer Science Computational Drug Discovery Methods Open access
Helen Lai, Christos C. Kannas, Alan Kai Hassen, Emma Granqvist, Annie M. Westerlund, Djork-Arné Clevert, +2 more
5citations -
IMI European Lead Factory — democratizing access to high-throughput screening2021 Nature Reviews Drug Discovery article Computer Science Computational Drug Discovery Methods Open access
Philip S. Jones, Sylviane Boucharens, Stuart P. McElroy, Angus J. Morrison, Saman Honarnejad, Stan van Boeckel, +58 more
4citations