Zobrazeno 1 - 10
of 3 299
pro vyhledávání: '"Medina José"'
Autor:
Fallani, Alessio, Nugmanov, Ramil, Arjona-Medina, Jose, Wegner, Jörg Kurt, Tkatchenko, Alexandre, Chernichenko, Kostiantyn
We evaluate the impact of pretraining Graph Transformer architectures on atom-level quantum-mechanical features for the modeling of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of drug-like compounds. We compare th
Externí odkaz:
http://arxiv.org/abs/2410.08024
Autor:
Arjona-Medina, Jose, Nugmanov, Ramil
Despite the rapid and significant advancements in deep learning for Quantitative Structure-Activity Relationship (QSAR) models, the challenge of learning robust molecular representations that effectively generalize in real-world scenarios to novel co
Externí odkaz:
http://arxiv.org/abs/2405.14837
Let $M^{(k)}_{d}(n)$ be the manifold of $n$-tuples $(x_1,\ldots,x_n)\in(\mathbb{R}^d)^n$ having non-$k$-equal coordinates. We show that, for $d\geq2$, $M^{(3)}_{d}(n)$ is rationally formal if and only if $n\leq 6$. This stands in sharp contrast with
Externí odkaz:
http://arxiv.org/abs/2401.01449
Autor:
Ayuso Sindulfo, Blanco Juan José, García Tejedor Juan Ignacio, Gómez Herrero Raúl, Vrublevskyy Iván, García Población Óscar, Medina José
Publikováno v:
Journal of Space Weather and Space Climate, Vol 11, p 13 (2021)
Muon telescopes are instruments devoted to the observation of muons. They are produced in the atmosphere by means of the interaction of cosmic ray and solar energetic particles with atmospheric nuclei. Muons, as cosmic rays that produce them, present
Externí odkaz:
https://doaj.org/article/179b142b0e9249daa6017eb8321f015e
