Results 171 to 180 of about 1,414,259 (269)

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

Multicatalysis-Enabled Multicomponent Reactions Generate a PTP1B Inhibitor. [PDF]

ACS Cent Sci
Shi T, Li Y, Yang J, Weng W, Zhang M, Shu J, Qian Y, Zhang T, Hu W.   +8 more
europepmc   +1 more source

Exploring the Chemistry of the Mechanical Bond: Synthesis of a [2]Rotaxane through Multicomponent Reactions. [PDF]

J Chem Educ, 2023
Saura-Sanmartin A, Lopez-Sanchez J, Lopez-Leonardo C, Pastor A, Berna J.   +4 more
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

State-of-the-art transition metal-catalyzed approaches to quinoline frameworks <i>via</i> multicomponent reactions. [PDF]

RSC Adv
Kazemi M, Al Assi G, Javahershenas R, M M R, Al-Hasnaawei S, Ray S, Pal A, Sharma R.   +7 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

Correction: Aryl glyoxal: a prime synthetic equivalent for multicomponent reactions in the designing of oxygen heterocycles. [PDF]

RSC Adv, 2023
Sheikh AR, Arif A, Khan MM.
europepmc   +1 more source

Functionalized TiO2 Catalysts: Revolutionary Candidate for Low‐Temperature MgH2 and Prospects for Intelligent Integration

Advanced Intelligent Discovery, EarlyView.
Recent advances in TiO2 modification strategies: structure regulation and composite engineering for improved activity and functionality. TiO2 has emerged as a pivotal catalyst for enhancing MgH2, a high‐capacity solid‐state hydrogen storage material, owing to its structural versatility.
Xiaopeng Chu, Jinghao Wang, Haojie Shi, Chuanxin Peng, Jiacheng Qi, Ge Gao, Guoquan Na, Haibo Yu, Kela Xiao, Gangqiang Wu, Zhendong Yao   +10 more
wiley   +1 more source

Green synthesis and theoretical study of novel biological active naphthyridine <i>via</i> multicomponent reactions employing ZnO/SiO₂/Fe₃O₄ as effective magnetic nanocomposite. [PDF]

RSC Adv
Sheikholeslami-Farahani F, Khandan S, Hossaini Z, Mirza S.   +3 more
europepmc   +1 more source

Accelerating Drug Discovery: Synthesis of Complex Chemotypes via Multicomponent Reactions. [PDF]

ACS Med Chem Lett, 2023
Buskes MJ, Coffin A, Troast DM, Stein R, Blanco MJ.   +4 more
europepmc   +1 more source