Results 161 to 170 of about 448,148 (200)

KidneyTox_v1.0 enables explainable artificial intelligence prediction of nephrotoxicity in small molecules. [PDF]

Sci Rep
Amin SA, Kar S, Piotto S.
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PepINVENT: generative peptide design beyond natural amino acids. [PDF]

Chem Sci
Geylan G, Janet JP, Tibo A, He J, Patronov A, Kabeshov M, Czechtizky W, David F, Engkvist O, De Maria L.   +9 more
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Half-integer topological defects paired via string micelles in polar liquids. [PDF]

PNAS Nexus
Ma Z, Jiang M, Song Y, Sun A, Yi S, Zhou C, Huang X, Huang M, Aya S, Wei QH.   +9 more
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Transfer learning from custom-tailored virtual molecular databases to real-world organic photosensitizers for catalytic activity prediction. [PDF]

Commun Chem
Noto N, Nagano T, Fujinami M, Kojima R, Saito S.   +4 more
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MolPrompt: improving multi-modal molecular pre-training with knowledge prompts. [PDF]

Bioinformatics
Li Y, Liu C, Gao X, Wang G.
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A survey of contrastive learning methods in molecular representation. [PDF]

Brief Bioinform
Forooghi A, Sadeghi S, Rueda L, Ngom A.
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Topological Excitations govern Ordering Kinetics in Endothelial Cell Layers

Ruider I, Thijssen K, Vannier DR, Paloschi V, Sciortino A, Doostmohammadi A, Bausch AR.   +6 more
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Going beyond SMILES enumeration for data augmentation in generative drug discovery.

Digit Discov
Brinkmann H, Argante A, Ter Steege H, Grisoni F.   +3 more
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Resurgence of Refined Topological Strings and Dual Partition Functions

Symmetry, Integrability and Geometry: Methods and Applications, 2023
We study the resurgent structure of the refined topological string partition function on a non-compact Calabi-Yau threefold, at large orders in the string coupling constant $g_s$ and fixed refinement parameter $\mathsf{b}$.
Sergey V. Alexandrov, Marcos Marino, B. Pioline   +2 more
semanticscholar   +1 more source