Results 51 to 60 of about 11,353 (143)

The Quantum Optimization Benchmarking Library. [PDF]

Nat Comput Sci
Koch T, Bernal Neira DE, Chen Y, Cortiana G, Egger DJ, Heese R, Hegade NN, Gomez Cadavid A, Huang R, Itoko T, Kleinert T, Maciel Xavier P, Mohseni N, Montanez-Barrera JA, Nakano K, Nannicini G, O'Meara C, Pauckert J, Proissl M, Ramesh A, Schicker M, Shimada N, Takeori M, Valls V, Van Bulck D, Woerner S, Zoufal C.   +26 more
europepmc   +1 more source

Reframing chemistry education in the age of automation and AI. [PDF]

Commun Chem
G Kurth D.
europepmc   +1 more source

ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models. [PDF]

J Cheminform
Phan TM, Phan TL, Van-Nguyen PC, Le LHS, To VT, Truong TN, Merkle D, Stadler PF.   +7 more
europepmc   +1 more source

Advances in Low-Dimensional Materials: Synthesis, Characterization and Device Application, 2nd Edition. [PDF]

Micromachines (Basel)
Zhang T, Zhang X.
europepmc   +1 more source

Q-CaDD: accelerating in silico methodologies with quantum computation and machine learning for Epidermal growth factor receptor. [PDF]

Sci Rep
Badarala L.
europepmc   +1 more source

Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]

Front Bioinform
Zhou X, Tao W.
europepmc   +1 more source

Virtual cell: Current perspectives and future prospects. [PDF]

J Int Med Res
Li J, Zhang H, Zhang W, Li N, Zhao F, Shen G.   +5 more
europepmc   +1 more source

graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]

J Cheminform
Sil S, Maskeri MA, Scheidt KA.
europepmc   +1 more source

AI and network biology for rational polypharmacology in signaling drug design: a review. [PDF]

NPJ Precis Oncol
Li X, Wu Z, Fang T, Li J, Li D, Zhang X, Liu L, Wang L.   +7 more
europepmc   +1 more source

MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning. [PDF]

J Cheminform
Hergli MI, Harigua-Souiai E.
europepmc   +1 more source