Results 101 to 110 of about 15,312 (166)

Experimental and modelling studies on antifungal compounds

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

A case study of the application of AI to early stage drug discovery. [PDF]

Sci Rep
Abdel-Rehim A, Soldatova LN, King RD.
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

Machine Learning- and AI-Driven QSAR Models for the Discovery of Novel Potential Fungicides: FAPI (Fungicide Targeting Acid Phosphatase Inhibition). [PDF]

J Agric Food Chem
Gálvez-Llompart M, Zanni R, Morales Y, Polonio Á, Fernández-Ortuño D, Pérez-García A, Pérez-Giménez F.   +6 more
europepmc   +1 more source

Coumarin-1,2,4-Triazole hybrids as potential agents against Brassicogethes aeneus (Fabricius 1775). [PDF]

Sci Rep
Šubarić D, Rastija V, Molnar M, Sarajlić A, Babić MK, Kovačić M, Puškadija Z, Majić I.   +7 more
europepmc   +1 more source

Genotoxicity risk assessment of a 7-hydroxymitragynine-enriched Kratom preparation: An integrated in silico and in vitro approach. [PDF]

Toxicol Rep
Harnkit N, Sahad T, Noonate I, Primpai P, Radapong S, Pipatrattanaseree W, Sincharoenpokai P, Chamnanpuen P.   +7 more
europepmc   +1 more source

In Silico Hazard Assessment of Ototoxicants Through Machine Learning and Computational Systems Biology. [PDF]

Toxics
Luan S, Ji C, Zarus GM, Reh CM, Ruiz P.
europepmc   +1 more source

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease. [PDF]

PLoS One
El Fadili M, Er-Rajy M, Mujwar S, Samadi A, Chtita S, Elhallaoui M.   +5 more
europepmc   +1 more source

Next-Generation Artificial Intelligence for ADME Prediction in Drug Discovery: From Small Molecules to Biologics. [PDF]

Yonago Acta Med
Tanihata S, Iwata H.
europepmc   +1 more source

Designing Potent HIV‑1 Protease Inhibitors Using Machine Learning and QSAR Approaches. [PDF]

ACS Omega
Ali S, Dwi Putra I, Chuntakaruk H, Wolschann P, Maitarad P, Rungrotmongkol T, Hannongbua S.   +6 more
europepmc   +1 more source