Results 131 to 140 of about 1,288,795 (193)

DeepMech: a machine learning framework for chemical reaction mechanism prediction. [PDF]

Chem Sci
Das M, Hoque A, Baranwal M, Sunoj RB.
europepmc   +1 more source

Optimization and Deployment of Real-Time On-Orbit Intelligent Interpretation Algorithms for Spaceborne Remote Sensing. [PDF]

Sensors (Basel)
Li C, Jiang H, Li Y, Xie H, Wang Y, Fan Y.   +5 more
europepmc   +1 more source

GAMT-GINE: A Graph Isomorphism Network Integrating Continuous Spatial Awareness and Multi-Task Learning for Protein-Ligand Binding Affinity Prediction. [PDF]

Int J Mol Sci
Li J, Li H, Wu D, He W, Cao W, Yang H, Hou Z.   +6 more
europepmc   +1 more source

From SMILES Codes for Reactants and Products to Transition States With VeloxChem. [PDF]

J Comput Chem
van Hoorn B, Norman P, Ahlquist MSG.
europepmc   +1 more source

Higher-order regularity for a structurally damped plate equation on rough domains. [PDF]

Math Ann
Denk R, Roodenburg FB.
europepmc   +1 more source

Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors. [PDF]

J Chem Inf Model
Martinov MN, Van Den Bergh A, Jacoby E, Kirov I, Nashev LG, Herasymenko O, Arrowsmith CH, Slater JW, Grell T, Maksimchuk K, Hack MD, Wu Z, Ohadi D, Borrenberghs D, Van Loock M, Mulakala C, Goethals O.   +16 more
europepmc   +1 more source

The Higher Structure of Symmetries of Axion-Maxwell Theory. [PDF]

Commun Math Phys
Del Zotto M, Dell'Acqua M, Gårding ER.
europepmc   +1 more source

Characterisation of quadratic spaces over the Hilbert field by means of the orthogonality relation. [PDF]

J Geom
Korbelář M, Paseka J, Vetterlein T.
europepmc   +1 more source

The Eisenstein ideal at prime-square level has constant rank. [PDF]

Proc Natl Acad Sci U S A
Lang J, Wake P.
europepmc   +1 more source

Joyce Structures from Quadratic Differentials on the Sphere. [PDF]

Commun Math Phys
Moy T.
europepmc   +1 more source