Results 101 to 110 of about 16,010 (186)

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

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

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

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

Experimental and modelling studies on antifungal compounds

Open Chemistry, 2006
Doble Mukesh, Kumar K.
doaj   +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

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

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

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