Results 201 to 210 of about 55,613 (263)

End-to-end multimodal structure elucidation from raw spectra combining contrastive learning and evolutionary algorithms. [PDF]

Nat Commun
Mirza A, Patiny L, Jablonka KM.
europepmc   +1 more source

Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation

Chemistry – A European Journal, EarlyView.
Solvent effects: vibrational circular dichroism (VCD) revealed pronounced solvent‐induced conformational shifts for a tetradentate salen ligand in CDCl3, a solvent generally considered benign. Contrary to the DFT prediction of a single dominant conformer family, quantum cluster growth together with the genetic algorithm guided VCD analysis uncovered ...
Amanda Nhi Tran, Mutasem Alshalalfeh, Colton D. Carlson, Andra Aniţa Radu, Vlad Ţeposu, Joseph Cheramy, Lili Zeng, Hui Zhang, Valentin Paul Nicu, Yunjie Xu   +9 more
wiley   +1 more source

Simulation and optimization of treatment schedule for multi-gantry heavy ion therapy. [PDF]

Tech Innov Patient Support Radiat Oncol
Stolen E, Yaddanapudi S, Qian H, Yoo SK, Lu B, Park JC, Tan J, Liang X, Furutani KM, Beltran CJ, Sohn JJ.   +10 more
europepmc   +1 more source

Metal‐Ion Regulated Light‐Free Z→E Isomerization of Azobenzene Glycomacrocycle

Chemistry – A European Journal, EarlyView.
Metal ion‐catalyzed Z→E isomerization of photoswitchable azobenzene glycomacrocycle: A new azobenzene‐based glycomacrocycle is capable of forming a 1:1 complex with divalent metal ions in both E‐ and Z‐isomers. The complexes undergo light‐free Z→E isomerization in a timescale spanning from seconds to weeks.
Yang Zhou, Jinbiao Jiao, Mathieu Lordez, Jean‐Yves Salpin, Juan Xie   +4 more
wiley   +1 more source

Enabling Synthetically Feasible Molecular Editing in Drug Discovery via Reaction-Regulated Graph-Based Genetic Algorithms. [PDF]

JACS Au
Moon SW, Ahn SH, Ahn JH, Kim HW.
europepmc   +1 more source

Artificial intelligence in enzyme catalysis: Emerging trends and applications in biocatalyst engineering

The Canadian Journal of Chemical Engineering, EarlyView.
Schematic representation of artificial intelligence approaches in enzyme catalysis, integrating bibliometric analysis, emerging research trends, and machine learning tools for enzyme design, prediction, and industrial biocatalytic applications. Abstract This study systematically explores the applications of artificial intelligence (AI) in enzyme ...
Misael Bessa Sales, Francisco Izaias da Silva Aires, Paulo Gonçalves de Sousa Junior, Calebe Da Rocha Silva, Emanuel Lino Rodrigues, Maria Cristiane Martins de Souza, José C. S. dos Santos   +6 more
wiley   +1 more source

Course assessment model in vocational education based on BPNN optimized by genetic algorithm. [PDF]

Sci Rep
Luo W, Zang L, Liang W, Ma Q, Chu J.
europepmc   +1 more source

A forward dynamics framework for parameter optimization of the EMG-driven musculoskeletal model. [PDF]

J Neuroeng Rehabil
Xie H, Wang Y, Liu T, Yan S, Zhang Y, Zhang K, Song X.   +6 more
europepmc   +1 more source

A genetic algorithm-based framework for online sparse feature selection in data streams. [PDF]

Front Big Data
Liu G, Liu J, He G, Liu Y, Bai H, Zhou M.   +5 more
europepmc   +1 more source

Heuristic multi-site optimization for protein sequence design using Masked Protein Language Models. [PDF]

PLoS Comput Biol
Wang L, Wang Y, Qiu C, Xiao L, Liu X, Chen J.   +5 more
europepmc   +1 more source