Results 171 to 180 of about 1,211,208 (311)

Computational Evaluation and Multi-Criteria Optimization of Natural Compound Analogs Targeting SARS-CoV-2 Proteases. [PDF]

Curr Issues Mol Biol
Negru PA, Radu AF, Radu A, Tit DM, Bungau G.   +4 more
europepmc   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Left hippocampus sparing model for glioblastoma radiotherapy by utilizing knowledge-based planning and multi-criteria optimization. [PDF]

J Appl Clin Med Phys
Tari SY, Heikal A, Le C, Yang F, Dinakaran D, Amanie J, Murtha A, Rowe LS, Roa WH, Patel S.   +9 more
europepmc   +1 more source

Heteroatom‐Engineering Promoted Co9S8 Bi‐functional Electrocatalyst for Hydrazine‐Assisted Hydrogen Production at Industrial Current Density

Advanced Functional Materials, EarlyView.
Fe and P co‐doped Co9S8 nanocorals (Fe, P‐Co9S8) are successfully synthesized by a heteroatom engineering strategy, which exhibit outstanding bifunctional electrocatalytic performance for both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR).
Yuying Meng, Chunyan Xiang, Wenbiao Zhang, Dahai Zeng, Bing Du, Bao Zhong, Yue Jiang, Damien Voiry, Qingsheng Gao   +8 more
wiley   +1 more source

Micro hole drilling and multi criteria optimization of soda lime glass via ultrasonic assisted rotary electrochemical discharge drilling. [PDF]

Sci Rep
Grover S, Rajput V, Mangal SK, Singh S, Singh S, Sharma S, Massoud EES, Kozak D, Lozanovic J.   +8 more
europepmc   +1 more source

PRELIVE: A Framework for Predicting Lipid Nanoparticles In Vivo Efficacy and Reducing Reliance on Animal Testing

Advanced Functional Materials, EarlyView.
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy, Chuan‐En Lu, Kai Liu, Audrey Gallud   +3 more
wiley   +1 more source

Machining performance, economic and environmental analyses and multi-criteria optimization of electric discharge machining for SS310 alloy. [PDF]

Sci Rep
Hannan A, Mehmood S, Ali MA, Raza MH, Farooq MU, Anwar S, Adediran AA.   +6 more
europepmc   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Misconceptions Yield Misleading Results. Comment on Wong et al. Comparative Study of Eclipse and RayStation Multi-Criteria Optimization-Based Prostate Radiotherapy Treatment Planning Quality. <i>Diagnostics</i> 2024, <i>14</i>, 465. [PDF]

Diagnostics (Basel)
Hårdemark B.
europepmc   +1 more source

Towards multi-criteria optimization of transducer configurations [PDF]

J Ther Ultrasound, 2015
Acharya D, Preusser T, Georgii J.
europepmc   +1 more source