Results 161 to 170 of about 31,763 (232)

QSAR modeling of antiradical and antioxidant activities of flavonoids using electrotopological state (E-State) atom parameters

Open Chemistry, 2007
Ray Supratim, Sengupta Chandana, Roy Kunal   +2 more
doaj   +1 more source

ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models. [PDF]

J Cheminform
Phan TM, Phan TL, Van-Nguyen PC, Le LHS, To VT, Truong TN, Merkle D, Stadler PF.   +7 more
europepmc   +1 more source

Selective phosphoinositide 3-kinase inhibitors and implication in diabetic retinopathy as pharmacological tools. [PDF]

Front Pharmacol
Bonaccorso C, Lazzara F, La Rosa I, Munzone C, Grasso A, Platania CBM, Bucolo C.   +6 more
europepmc   +1 more source

QSAR Models for Sweetness: Can They Shape the Future of Nutritional Safety? [PDF]

Foods
Toropova AP, Toropov AA, Raŝka I, Raŝkova M, Achary PGR.   +4 more
europepmc   +1 more source

Machine learning-guided Nano-QSAR modeling predicts HepaRG cell membrane toxicity of engineered nanoparticles with mechanistic insights. [PDF]

Cell Biol Toxicol
Hao X, Ren T, Chen S, Ning S, Zhang N, Zhao L, Zhong R, Sun G.   +7 more
europepmc   +1 more source

Combating Drug Resistance in <i>Mycobacterium Tuberculosis</i>: A Combinatorial in Silico and Experimental Modeling Approach Toward Novel ATP Synthase Inhibitor Discovery. [PDF]

Bioinform Biol Insights
El-Zoheiry HH, Bhowmik R, Manaithiya A, Ray R, Samantaray M, Ramaswamy A, Aspatwar A.   +6 more
europepmc   +1 more source

QSAR-Guided Generative Framework for the Discovery of Synthetically Viable Odorants

Pearce T, Ibrahim A.
europepmc   +1 more source

Safe-by-redesign guidance for toxic industrial chemicals using explainable artificial intelligence: Introducing the DETOX-QSAR model. [PDF]

Sci Rep
Çeli̇k FK, Doğan S.
europepmc   +1 more source

Machine Learning (ML) and Molecular Dynamics-Driven Optimization of VEGFR2 Ligands against Hepatocellular Carcinoma. [PDF]

Oncol Res
Yasmeen F, Manan A, Kim W, Choi S.
europepmc   +1 more source

Constraint aware and uncertainty informed QSAR modeling of Tetrahymena pyriformis toxicity using physicochemical descriptors. [PDF]

Sci Rep
Khafagy ES, Lila ASA, Al Saqr A, Pishnamazi M.   +3 more
europepmc   +1 more source