Results 121 to 130 of about 1,485,305 (342)

Quantitative structure activity relationships in computer aided molecular design [PDF]

, 2016
The drug development process requires the complete evaluation and identification of the chosen substance as well as its properties. It involves extensive chemical examination to achieve the best therapeutic effects which demands huge expenditure both in ...
Hentabli, Hentabli, Saeed, Faisal, Salim, Naomie   +2 more
core  

High‐Rate Deposition and Characterization Study of CoZrO Films for On‐Chip Power Applications

Advanced Engineering Materials, EarlyView.
This study introduces a high‐rate reactive sputtering process for CoZrO films, aimed at large‐scale production of on‐chip magnetic components compatible with complementary metal oxide semiconductor (CMOS) fabrication. Characterization of the deposited films reveals that ideal magnetic properties require chemical compositions in a narrow Co:O range and ...
Elaine Ng, Leopoldo A. Hernandez, Jianliang Lin, Elizabeth Young‐Dohe, Charles R. Sullivan, Alex J. Hanson, Jean Anne C. Incorvia   +6 more
wiley   +1 more source

Enhancing the Age‐Hardening Response of Laser Powder‐Bed Fusion WE43 Alloy through Microstructural Control

Advanced Engineering Materials, EarlyView.
Laser powder‐bed fusion (L‐PBF) can produce dense WE43 magnesium alloy parts, but their mechanical properties are limited by a nonhomogeneous microstructure. This study investigates the effects of varying direct aging (T5) and artificial age‐hardening (T6) conditions on microstructure and strength. Optimized T6 treatment significantly improves strength
Prathviraj Upadhyaya, Sinéad M. Uí Mhurchadha, Oliver J. McCarthy, Tríona Kennedy, Mert Celikin, Ramesh Raghavendra   +5 more
wiley   +1 more source

Quantitative Structure-Activity Relationship in the Series of 5-Ethyluridine, N2-Guanine, and 6-Oxopurine Derivatives with Pronounced Anti-Herpetic Activity. [PDF]

Molecules, 2023
Khairullina V, Martynova Y.
europepmc   +1 more source

Large‐Scale Interlaboratory Study Along the Entire Process Chain of Laser Powder Bed Fusion: Bridging Variability, Standards, and Optimization across Metals and Polymers

Advanced Engineering Materials, EarlyView.
What happens when 32 labs join forces to study nanoparticle‐modified powders? A data‐driven journey through laser powder bed fusion—now openly accessible for the entire additive manufacturing community—is studied. Laser powder bed fusion is a cornerstone technology for additive manufacturing (AM) of metals and polymers, yet challenges in achieving ...
Ihsan Murat Kuşoğlu, Sunidhi Garg, Arvid Abel, Prasanna V. Balachandran, Stephan Barcikowski, Louis Becker, Jan-Simeon Bernsmann, Jonas Boseila, Christoph Broeckmann, Mert Coskun, Malte Dreyer, Mark East, Mark Easton, Nils Ellendt, Stan Gann, Bilal Gökce, Mareen Goßling, Joachim Greiner, Piotr Gruber, Moritz Grünewald, Kopila Gurung, Nick Hantke, Florian Hengsbach, Hannes Holländer, Brecht Van Hooreweder, Kay-Peter Hoyer, Yajiang Huang, Florian Huber, Olaf Kessler, Burçin Özbay Kısasöz, Stefan Kleszczynski, Ebubekir Koc, Tomasz Kurzynowski, Arno Kwade, Simon Leupold, Dongmei Liu, Felix Lomo, Arne Lüddecke, Gerrit A. Luinstra, David A. Mauchline, Fabian Meyer, Lars Meyer, Peter Middendorf, Stefan Nolte, Michał Olejarczyk, Ludger Overmeyer, Andrij Pich, Sebastian Platt, Felix Radtke, Roland Ramm, Silja-Katharina Rittinghaus, Richard Rothfelder, Johannes Rudloff, Mirko Schaper, Marie Luise Scheck, Johannes Henrich Schleifenbaum, Michael Schmidt, Jan T. Sehrt, Yvonne P. Shabanga, Alexander Sommereyns, Rabea Steuer, Layla Shams Tisha, Anastasiya Toenjes, Christopher Tuck, Adrian Vaghar, Bey Vrancken, Zhengze Wang, Sebastian Weber, Jan Wegner, Bai-Xiang Xu, Yangyiwei Yang, Duyao Zhang, Evgeny Zhuravlev, Anna R. Ziefuss   +73 more
wiley   +1 more source

Dataset on aquatic ecotoxicity predictions of 2697 chemicals, using three quantitative structure-activity relationship platforms. [PDF]

Data Brief, 2023
Svedberg P, Inostroza PA, Gustavsson M, Kristiansson E, Spilsbury F, Backhaus T.   +5 more
europepmc   +1 more source

A Simulative Approach for the Prediction of Mesoscale Residual Stress Fields in Solution‐Strengthened Ferritic Ductile Iron

Advanced Engineering Materials, EarlyView.
This study presents a 3D representative volume element‐based simulation approach to predict mesoscopic residual stress and strain fields in silicon solid solution‐strengthened ductile cast iron. By modeling phase transformation kinetics with an enhanced Johnson–Mehl–Avrami–Kolmogorov model, the effects of varying cooling rates on residual stresses are ...
Lutz Horbach, Oliver Schenk, Valérian Iss, Ali Rajaei, Jiali Zhang, Felix Weber, Christoph Broeckmann   +6 more
wiley   +1 more source

Molecular docking and quantitative structure-activity relationship study of anticonvulsant activity of aminobenzothiazole derivatives

Beni-Suef University Journal of Basic and Applied Sciences, 2018
In silico studies which include Quantitative structure-activity relationship (QSAR) and molecular docking studies were carried out on the 37 amino-benzothiazole derivatives (anticonvulsant agents).
Usman Abdulfatai, Adamu Uzairu, Sani Uba
doaj  

Evaluation of Cx43 Gap Junction Inhibitors Using a Quantitative Structure-Activity Relationship Model. [PDF]

Biomedicines, 2023
Matusevičiūtė R, Ignatavičiūtė E, Mickus R, Bordel S, Skeberdis VA, Raškevičius V.   +5 more
europepmc   +1 more source

MTD Approach to Quantitative Structure-Activity Relationships for Cardiotonic Steroids [PDF]

, 1985
Martin Bohl, Zeno Simon
openalex   +1 more source