Results 191 to 200 of about 2,040,439 (323)

Quantitative structure-activity relationship modeling for predication of inhibition potencies of imatinib derivatives using SMILES attributes. [PDF]

Sci Rep, 2022
Hamzehali H, Lotfi S, Ahmadi S, Kumar P.
europepmc   +1 more source

Quantitative Structure-Activity Relationship and Molecular Modeling Studies on a series of constrained (L-)-S-adenosyl-L-homocysteine (SAH) analogues acting as DNA methyltransferase inhibitors.

, 2021
Arshita Jindal, Anjali Sharma, Neeraj Agarwal   +2 more
openalex   +1 more source

Sustainable Synthesis of Bio‐Based Magnetic and Conductive Wood for Electromagnetic Interference Shielding Applications

Advanced Engineering Materials, EarlyView.
A wood‐based magnetic and conductive material called Magwood (MW), capable of blocking almost 99.99% of electromagnetic waves (in the X‐band frequency range), is synthesized using a simple, solvent‐free process. MW is lightweight, resists water, and is flame‐retardant, making it a promising alternative for shielding electronics. The rapid proliferation
Akash Madhav Gondaliya, Majed Amini, Mohammad Arjmand, Earl Johan Foster   +3 more
wiley   +1 more source

Machine Learning-Enhanced Quantitative Structure-Activity Relationship Modeling for DNA Polymerase Inhibitor Discovery: Algorithm Development and Validation. [PDF]

JMIR AI
Kakraba S, Ayyadevara S, Yadem Clement A, Abraham KE, Compadre CM, Shmookler Reis RJ.   +5 more
europepmc   +1 more source

Virtual docking screening and quantitative structure-activity relationship studies to explore AKT and PI3K inhibitors acting on mTOR in cancers by theoretical biology and medical modeling. [PDF]

Contemp Oncol (Pozn), 2023
Kandoussi I, Abbou H, Haddoumi GE, Mansouri M, Belyamani L, Ibrahimi A.   +5 more
europepmc   +1 more source

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Quantitative Structure-Activity Relationship Modeling and Molecular Docking Studies of TgCDPK1 Inhibitors in Toxoplasma gondii. [PDF]

Microbiologyopen
Lesani S, Tavalla M, Eslami G, Boozhmehrani MJ.   +3 more
europepmc   +1 more source

Leveraging Cell Painting Images to Expand the Applicability Domain and Actively Improve Deep Learning Quantitative Structure-Activity Relationship Models. [PDF]

Chem Res Toxicol, 2023
Herman D, Kańduła MM, Freitas LGA, van Dongen C, Le Van T, Mesens N, Jaensch S, Gustin E, Micholt L, Lardeau CH, Varsakelis C, Reumers J, Zoffmann S, Will Y, Peeters PJ, Ceulemans H.   +15 more
europepmc   +1 more source

Bioaccumulationand Biotransformation of TriazolePesticides in Rice (Oryza sativa L.):Quantitative Structure–Activity Relationship, Metabolic Pathways,and Toxicity Assessment

Lu Liu (171341), Pingping Wang (1485592), Xiyue Tu (21180152), Yuhao Cao (9083666), Shaohan Zhang (11263613), Yuan Lu (249915), Hao Chen (5190), Zhipeng Cheng (6942260), Hongwen Sun (1421434)   +8 more
openalex   +1 more source

Chlorine Contribution to Quantitative Structure and Activity Relationship Models of Disinfection By-Products' Quantum Chemical Descriptors and Toxicities

, 2009
Fang Wang
openalex   +2 more sources