Results 1 to 10 of about 327,247 (251)

CLRe: A Synergistic Dual-Engine Framework for One-Step Retrosynthesis Prediction. [PDF]

Adv Sci (Weinh)
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Su T, Wang X, Li M, Qin G, Hu S, Zhang TY.   +5 more
europepmc   +2 more sources

Establishing Proposition 65 Safe Harbor Levels for Estragole and Methyleugenol in Cosmetics: A Mechanistic Read-Across from Safrole. [PDF]

Toxics
Corrêa GOP, Souza T, Conde ENN, Oliveira AÁS, Vita NA, Motter Catarino C, Canavez ADPM.   +6 more
europepmc   +1 more source

Sustainable design of jewelry materials through green polymer and low impact processing strategies. [PDF]

Front Chem
Wang Q, Li D, Guo N.
europepmc   +1 more source

Strings and topological defects govern ordering kinetics in endothelial cell layers. [PDF]

Nat Phys
Ruider I, Thijssen K, Vannier DR, Paloschi V, Sciortino A, Doostmohammadi A, Bausch AR.   +6 more
europepmc   +1 more source

A Bond-Level Sequence Framework for Molecular Representation Learning with Structural Constraints. [PDF]

Molecules
Fan H, Qi H, Huang X, Zhu D, Wang N, Wang T, Hao H.   +6 more
europepmc   +1 more source

Properties of stable massive quark stars in holography. [PDF]

Eur Phys J C Part Fields
Bitaghsir Fadafan K, Cruz Rojas J, Mager J.   +2 more
europepmc   +1 more source

Quantum circuit complexity and unsupervised machine learning of topological order. [PDF]

Nat Commun
Che Y, Gneiting C, Wang X, Nori F.
europepmc   +1 more source

Zero Indirect Band Gap and Flat Bands in a Niobium Oxyiodide Cluster Material. [PDF]

J Am Chem Soc
Beitlberger J, Martin M, Scheele M, Matas M, Romao CP, Ströbele M, Meyer HJ.   +6 more
europepmc   +1 more source

SMILES-based degree molecular descriptors and machine learning for QSPR modeling of anti-alkaptonuria drugs. [PDF]

Front Chem
Wu G, Rasheed MW, Alsulami S.
europepmc   +1 more source

Spatiotemporal flux breathing and topological sculpting in structured transverse orbital angular momentum lattices. [PDF]

Nat Commun
Liu D, Zhang X, Tai Y, Luo D, Wang H, Tao Z, JiaShaner D, Tao Z, Zhang X, Peng Z, Fan G, Zhan Q.   +11 more
europepmc   +1 more source