Results 71 to 80 of about 57,588 (165)

An ontology-based disambiguation of terms [PDF]

, 2011
Ananiadou, S, King, R D, Kolluru, B, Qi, D, Soldatova, L N   +4 more
core  

Synthesis, Biological Studies, and <i>In Silico</i>-Driven Design of 8-Aminoquinoline-Based Sulfonamide Derivatives as Potential Antioxidant and Antimicrobial Agents. [PDF]

Comput Struct Biotechnol J
Pingaew R, Worachartcheewan A, Prachayasittikul V, Cherdtrakulkiat R, Prachayasittikul S, Ruchirawat S, Prachayasittikul V.   +6 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

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

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

Enhancing cancer drug discovery: QSAR modeling with machine learning and chemical representations. [PDF]

PLoS One
Acosta-Murillo R, Ortiz-Bayliss JC, Zapata-Morin PA.   +2 more
europepmc   +1 more source

SMILES-based QSAR analysis of carbamate derivatives targeting butyrylcholinesterase. [PDF]

Sci Rep
Latifi N, Ahmadi S, Lotfi S, Kolahi SA.
europepmc   +1 more source

In Silico Models for Predicting Adsorption of Organic Pollutants on Atmospheric Nanoplastics by Combining Grand Canonical Monte Carlo/Density Functional Theory and Quantitative Structure Activity Relationship Approach. [PDF]

Nanomaterials (Basel)
Wang Y, Yi H, Li C, Tang X, Zhao P, Chen Z.   +5 more
europepmc   +1 more source

Data curation in cheminformatics: importance and implementation. [PDF]

J Cheminform
Esaki T, Ikeda K.
europepmc   +1 more source

How quantum-chemical geometry optimization level affects classical 3D descriptors and QSAR performance: a comparative study. [PDF]

J Cheminform
Li J, Gu R, Du S, Xu L.
europepmc   +1 more source