Results 181 to 190 of about 5,374,113 (306)

Bioactive 2-pyridone-containing heterocycle syntheses using multicomponent reactions. [PDF]

RSC Adv, 2022
Hurtado-Rodríguez D, Salinas-Torres A, Rojas H, Becerra D, Castillo JC.   +4 more
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

A highly chemo- and regioselective synthesis of heterocyclic [3.3.3]propellanes via sequential multicomponent reactions in water. [PDF]

Sci Rep
Rahimi Z, Bayat M, Hosseini H.
europepmc   +1 more source

Domino/Cascade and Multicomponent Reactions for the Synthesis of Thiazole Derivatives. [PDF]

Curr Org Chem, 2022
Alam MA.
europepmc   +1 more source

Prediction‐Guided Two‐Step Solid‐State Exploration of Unknown Pseudo‐Ternary Oxides

Advanced Intelligent Discovery, EarlyView.
Prediction‐guided selection combined with two‐step solid‐state exploration enables efficient search of unknown pseudo‐ternary oxides. Broad robotic slurry screening followed by manual single‐phase isolation leads to the discovery of a new oxide, Ba5SnV6O22, showing how data‐guided experiments connect unexplored composition regions to new materials ...
Hiroyuki Hayashi
wiley   +1 more source

Efficient AntiMycolata Agents by Increasing the Lipophilicity of Known Antibiotics through Multicomponent Reactions. [PDF]

Antibiotics (Basel), 2023
Trejo A, Masdeu C, Serrano-Pérez I, Pedrola M, Juanola N, Ghashghaei O, Jiménez-Galisteo G, Lavilla R, Palacios F, Alonso C, Viñas M.   +10 more
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Mechanochemistry Meets Catalysis: Metal Complexes for Greener Organic Transformations

Angewandte Chemie, EarlyView.
Mechanochemistry is redefining metal catalysis by controlling catalyst formulation, speciation, and deployment. This Review shows how milling, LAG, RAM, and TSE enable rapid metal‐complex assembly, distinctive catalytic manifolds, and scalable synthesis beyond solution chemistry.
Sourav Behera, Francesco Basoccu, Andrea Porcheddu   +2 more
wiley   +2 more sources

Estimation of multicomponent reactions' yields from networks of mechanistic steps. [PDF]

Nat Commun
Szymkuć S, Wołos A, Roszak R, Grzybowski BA.   +3 more
europepmc   +1 more source

Copper-catalyzed multicomponent reactions for the efficient synthesis of diverse spirotetrahydrocarbazoles. [PDF]

Beilstein J Org Chem, 2022
Zhan SC, Fang RJ, Sun J, Yan CG.
europepmc   +1 more source