Results 221 to 230 of about 75,103 (257)

From lab to environment: forecasting pharmaceutical impact using <i>in silico</i> and analytical tools. [PDF]

RSC Med Chem
Boucetta H, Russell P, Rudd D, Jörg M.
europepmc   +1 more source

QSAR Models for Predicting Oral Bioavailability and Volume of Distribution and Their Application in Mapping the TK Space of Endocrine Disruptors. [PDF]

J Xenobiot
Ollitrault G, Marzo M, Roncaglioni A, Benfenati E, Taboureau O, Mombelli E.   +5 more
europepmc   +1 more source

Mechanistic Modelling of Lidocaine and Prilocaine Absorption from EMLA Cream upon Topical Application using Physiologically Based Pharmacokinetic Modelling. [PDF]

AAPS PharmSciTech
Telaprolu KC, Tsakalozou E, Ghosh P, Alam K, Grice JE, Roberts MS, Jamei M, Polak S, Clarke JF.   +8 more
europepmc   +1 more source

Exposure to marine contaminant mixtures with different toxicity drivers reduces microzooplankton diversity. [PDF]

FEMS Microbiol Ecol
Jönander C, Egardt J, Töpel M, Spilsbury F, Carmona E, Inostroza PA, Brack W, Dahllöf I.   +7 more
europepmc   +1 more source

Molecular docking–QSAR–Kronecker-regularized least squares-based multiple machine learning for assessment and prediction of PFAS–protein binding interactions

Lihui Zhao, Zixuan Zhang, Hee King SU, Wenjun Zhang, Jiaqi Sun, Yunxia Li, Miaomiao Teng   +6 more
openalex   +1 more source

First-Principles Modeling of Nitazoxanide Analogues as Prospective PFOR-Targeted Antibacterials. [PDF]

Int J Mol Sci
Alqahtani H, Gomaa I, Refaat A, Mansour MSA, Alsaiari RA, Rizk MA.   +5 more
europepmc   +1 more source

Bridging traditional and contemporary approaches in computational medicinal chemistry: opportunities for innovation in drug discovery. [PDF]

RSC Med Chem
de Oliveira AS.
europepmc   +1 more source

Computational screening and in vitro evaluation of sphingosine-1-phosphate analogues as therapeutics for Non-Hodgkin's lymphoma. [PDF]

Sci Rep
Al Awadh AA.
europepmc   +1 more source

Predicting Organ-Specific Toxicity of Selective Androgen Receptor Modulators, using Transfer Learning on Graph Convolutional Networks

Kalian AD, Silva AC, Lee J, Dorne JC, Potter C, Benfenati E, Osborne OJ, Guo M, Hogstrand C.   +8 more
europepmc   +1 more source