Results 151 to 160 of about 26,392 (248)

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization. [PDF]

J Chem Inf Model
Ito S, Koyama T, Matsumoto S, Kojima R, Okamoto Y, Kuroda M, Kawashima H, Watanabe R, Yonezawa T, Sumiyoshi T, Ikeda K, Mizuguchi K, Iwata H, Okuno Y.   +13 more
europepmc   +1 more source

In Silico Identification of Potential Inhibitors for Dengue Virus NS5 Methyltransferase: Molecular Docking, Dynamics, DFT, and ADME Analysis [PDF]

Bhanuranjan Das, Purna Chandra Pal, Anjali Upadhyay   +2 more
openalex   +1 more source

Predicting intestinal absorption of raltegravir using a population-based ADME simulation [PDF]

, 2013
Darren Moss, Marco Siccardi, David Back, Andrew Owen   +3 more
openalex   +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

High-throughput phenotypic screening of Medicines for Malaria Venture's Hit Generation Library 1 identifies new nematocidal chemotypes. [PDF]

Int J Parasitol Drugs Drug Resist
Taki AC, Byrne JJ, Chang BCH, Laleu B, Wells TNC, Jabbar A, Gasser RB.   +6 more
europepmc   +1 more source

Molecular docking, ADME study, Cardiovascular biomarkers and gastric safety of new pyrazoles as selective anti-inflammatory agents

Eman K. A. Abdelall, Sameh S. Zaghlool, Joseph Z.F. Saad, John N. Philoppes   +3 more
openalex   +1 more source

Development of an ADME gene signature for prognostic and therapeutic stratification in gastric cancer. [PDF]

Discov Oncol
Wang D, Wang X, Chen L, Wang H, Meng X, Miao Z, Zhao Y.   +6 more
europepmc   +1 more source

Deep learning vs classical methods in potency & ADME prediction: Insights from the Polaris Antiviral Challenge [PDF]

Yvan Fischer, Dhoha Triki, Ruel Cedeno
openalex   +1 more source

TRIPHALA: Insilico ADME and Toxicity Prediction by Comparison of Existing Software

, 2023
Miss. Hrutuja Wagh
openalex   +1 more source

ADME Study [PDF]

, 2020
openaire   +1 more source