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A Community Challenge for Pancancer Drug Mechanism of Action Inference from Perturbational Profile Data2021 SSRN Electronic Journal preprint Computer Science Computational Drug Discovery Methods Open access
Eugene F. Douglass, Robert J. Allaway, Bence Szalai, Wenyu Wang, Tingzhong Tian, Adrià Fernández‐Torras, +22 more
3citations -
Machine Learning-aided Discovery of Novel Chemotype Antagonists for G Protein-coupled Receptors: The Case of the Adenosine A 2A Receptor2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Jonas Goßen, Rui Pedro Ribeiro, Dirk DB Bier, Bernd Neumaier, Paolo Carloni, Alejandro Giorgetti, +1 more
2citations -
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, +20 more
0citations -
Stress-divergence, Laplacian, and rotational forms of the incompressible Navier--Stokes equations with variable viscosity2026 arXiv (Cornell University) preprint Engineering Advanced Numerical Methods in Computational Mathematics Open access
Benjamín Cisternas, Douglas R. Q. Pacheco, Felipe Galarce, Ernesto Castillo
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets (Ultra Large Dataset)2023 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, +20 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, +20 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 -
From exact gradients to exact standard errors: third-order sensitivity equations for the FOCE and FOCEI population likelihood2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Mathematics Statistical Methods and Bayesian Inference Open access
Hidde van de Beek, Massinissa Beldjenna, Matthew L. Fidler, Laura B. Zwep, J. G. Coen van Hasselt
0citations