Results 151 to 160 of about 31,763 (232)

Structural Alerts for Aneuploidy Prediction: Are We There Yet? [PDF]

Toxics
Ricci EM, Bossa C, Marcon F, Troncarelli L, Battistelli CL.   +4 more
europepmc   +1 more source

QSAR-Guided Design of Serotonin Transporter Inhibitors Supported by Molecular Docking and Biased Molecular Dynamics. [PDF]

Pharmaceuticals (Basel)
Veselinović AM, Culletta G, Živković JV, Sunarić S, Mitić Ž, Roomi MS, Tutone M.   +6 more
europepmc   +1 more source

Integrating QSAR-Machine Learning, Biochemical Assays, and Molecular Dynamics for the Discovery of JAK2 Inhibitors in Cervical Cancer. [PDF]

J Chem Inf Model
Todsaporn D, Sanachai K, Suddee N, Kanjanapanyakom C, Maitarad P, Worayuthakarn R, Aonbangkhen C, Thasana N, Rungrotmongkol T.   +8 more
europepmc   +1 more source

Pharmacophore- and QSAR-guided discovery of natural product inhibitors targeting dehydrosqualene synthase in Staphylococcus aureus. [PDF]

PLoS One
Amorim J, Ortega S, Rodas R, Vélez L, Arteaga D, Carpio J.   +5 more
europepmc   +1 more source

Integration of Machine Learning With PBPK and QSAR Modeling Approaches to Facilitate Drug Discovery and Development. [PDF]

CPT Pharmacometrics Syst Pharmacol
Chen X, Lin Z.
europepmc   +1 more source

Democratizing Artificial Intelligence in Toxicology: Real-World Applications and Automated Computational Workflows. [PDF]

Chem Res Toxicol
Mansouri K, Moreira-Filho JT, S Tieghi R, Kleinstreuer N.   +3 more
europepmc   +1 more source

Bioactivity Classification of 2,649 Per- and Polyfluoroalkyl Substances (PFASs) via Quantitative Structure-Activity Relationships and Molecular Docking to Health-Relevant Proteins. [PDF]

Environ Sci Technol Lett
Li W, Bischel HN.
europepmc   +1 more source

PPO Inhibitors as a Key Focus in Herbicide Discovery. [PDF]

Molecules
Zhao M, Li B, Gao Y, Zhang R, Ahmattohti S, Li J, Shi X.   +6 more
europepmc   +1 more source

Experimental and modelling studies on antifungal compounds

Open Chemistry, 2006
Doble Mukesh, Kumar K.
doaj   +1 more source

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