Results 181 to 190 of about 30,899 (248)

ADME Study [PDF]

, 2020
openaire   +1 more source

Data-driven design and screening of novel <i>Klebsiella pneumoniae</i> carbapenemase-2 β-lactamase inhibitors using a generative CLM. [PDF]

RSC Adv
Tariq SS, Haleem MS, Uddin R.
europepmc   +1 more source

Antibacterial and Anticancer Potential of <i>Alhagi maurorum</i> Ethanol Crude Extract: LC-MS-Guided Evidence and In Silico Mechanistic Insights. [PDF]

Int J Mol Sci
Mahdi IM, Najm AAK.
europepmc   +1 more source

DeepSnap: From Three-Dimensional Molecular Images to Quantitative Structure-Activity Predictions. [PDF]

Int J Mol Sci
Uesawa Y.
europepmc   +1 more source

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

Exploring the neuroprotective, antioxidant, and anti-amyloid effects of Ganoderma lucidum compounds in Alzheimer's disease: insights from experimental and computational approaches. [PDF]

J Genet Eng Biotechnol
Mia M, Dutta A, Hossain MM, Adhikari J, Rahman MM, Shibly AZ.   +5 more
europepmc   +1 more source

Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]

Front Bioinform
Zhou X, Tao W.
europepmc   +1 more source

Novel Cinnamaldehyde Hydrazones: Design, In Silico Evaluation, Synthesis, and Cytotoxic Activity. [PDF]

Molecules
Nikolova-Mladenova B, Mihaylova R, Atanasova M.   +2 more
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

In Vitro Cytochrome P450 Interaction Profile and ADME Characterisation of Gold(I)-Triphenylphosphine Complexes with 6-Alkoxy-9-deazapurine Ligands. [PDF]

Pharmaceutics
Medvedíková M, Vančo J, Trávníček Z, Anzenbacher P.   +3 more
europepmc   +1 more source