Results 191 to 200 of about 31,497 (236)

ADMET and DMPK

, 2016
openaire   +1 more source

Integrating Artificial Intelligence Into Drug Discovery From Medicinal Plants: Current Applications and Infrastructural Challenges. [PDF]

Chem Biol Drug Des
Gangwal A, Ansari A, Siddique MUM, Sawale J, Padmane S, Wadekar R.   +5 more
europepmc   +1 more source

Targeting Insulin Signaling and TRAF2/JNK Pathway: A Comprehensive In Silico Study of <i>Uncaria tomentosa</i> Compounds. [PDF]

Int J Mol Sci
Marchi BF, Parate S, Jha V, Chambergo FS, Eriksson LA, Nunes VA.   +5 more
europepmc   +1 more source

In Silico Design and Evaluation of Quinone Methide Oxime Derivatives as Potential Non-Covalent Steroid Sulfatase Inhibitors. [PDF]

Molecules
Khylyuk D, Demchuk OM, Holota S, Otto-Ślusarczyk D, Struga M, Burdan F, Wujec M.   +6 more
europepmc   +1 more source

Uncovering lipid biomarkers linked to methylphenidate efficacy in treating apathy in Alzheimer's disease: insights from the ADMET 2 trial. [PDF]

Alzheimers Res Ther
Ruthirakuhan M, Mills M, Rosenberg P, Haughey N, Mintzer J, Brawman-Mintzer O, Craft S, Herrmann N, Lerner AJ, Levey AI, Padala PR, Porsteinsson A, van Dyck CH, Shade D, Lanctôt KL.   +14 more
europepmc   +1 more source

Antioxidant and Antidiabetic Activity of the Bulb Extract of <i>Crinum amoenum</i> Roxb. ex Ker Gawl: An Integrated In Vitro, In Vivo and In Silico Approach. [PDF]

Antioxidants (Basel)
Jha PK, Khan K, Abbas A, Weiskirchen R, Kumar Kohar B, Bhattarai N, Yadav RK, Sapkota B, Malik A, Panta S, Pandey B.   +10 more
europepmc   +1 more source

Pyridine-containing antitumor agents: structure-oriented medicinal chemistry, structure-activity relationships, and ADMET liabilities. [PDF]

Med Chem Res
Zhao W, Bie B, Wang J, Liu X, Fang H, Niu R.   +5 more
europepmc   +1 more source

Computer-aided drug discovery: historical foundations, practical AI tools, and emerging ethical considerations. [PDF]

Front Pharmacol
Clarke R, Palazzo G, Ruzicka J, Ferla S, Bassetto M.   +4 more
europepmc   +1 more source

In Silico Investigation of Phytochemicals from Djiboutian Plants Targeting Sulfate and Phosphate Transporters Involved in Dichromate Uptake. [PDF]

Pharmaceuticals (Basel)
Abdoul-Latif FM, Abchir O, Elmi A, El Bouamri L, Mohamed T, Yamari I, Gil-Ortiz R, Jutur PP, Chtita S.   +8 more
europepmc   +1 more source

Prediction of ADMET Properties

ChemMedChem, 2006
AbstractThis Review describes some of the approaches and techniques used today to derive in silico models for the prediction of ADMET properties. The article also discusses some of the fundamental requirements for deriving statistically sound and predictive ADMET relationships as well as some of the pitfalls and problems encountered during these ...
Christel A S Bergstrom, Ulf Norinder
exaly   +4 more sources