Results 231 to 240 of about 228,562 (313)

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

open access: yesAdvanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang   +8 more
wiley   +1 more source

Colossal infrared nonlinear optical anisotropy in a 2D charge-transfer Mott insulator. [PDF]

open access: yesLight Sci Appl
Duan R   +23 more
europepmc   +1 more source

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