Results 151 to 160 of about 29,861 (222)

Use of QSARs to Promote More Cost-Effective Use of Chemical Monitoring Resources. 2. Screening Chemicals for Hydrolysis Half-Lives, Henry's Law Constants, Ultimate Biodegradation Potential, Modes of Toxic Action and Bioavailability [PDF]

, 2004
John D. Walker, Nadezhda Dimitrova, S. Dimitrov, Ovanes Mekenyan, D. Plewak   +4 more
openalex   +1 more source

Perturbation-Theory Machine Learning for Multi-Target Drug Discovery in Modern Anticancer Research. [PDF]

Curr Issues Mol Biol
Kleandrova VV, Cordeiro MNDS, Speck-Planche A.   +2 more
europepmc   +1 more source

Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors. [PDF]

PLoS One
Noumi E, Snoussi M, Bouali N, Alshammari MM, Altayb HN, Afzal M, De Feo V.   +6 more
europepmc   +1 more source

QSARs of Some 5- or 6-Methyl-2-Substituted Benzoxazoles/Benzimidazoles against Candida albicans

, 2001
Özlem Temiz‐Arpacı
openalex  

NeSyDPP-4: discovering DPP-4 inhibitors for diabetes treatment with a neuro-symbolic AI approach. [PDF]

Front Bioinform
Hossain D, Saghapour E, Chen JY.
europepmc   +1 more source

Food Grade Synthesis of Hetero-Coupled Biflavones and 3D-Quantitative Structure-Activity Relationship (QSAR) Modeling of Antioxidant Activity. [PDF]

Antioxidants (Basel)
Zheng H, Yang X, Zhang Q, Toy JYH, Huang D.   +4 more
europepmc   +1 more source

Next‐generation QSAR [PDF]

Molecular Informatics, 2011
openaire   +3 more sources

Qsarna: An Online Tool for Smart Chemical Space Navigation in Drug Design. [PDF]

J Chem Inf Model
Cieślak M, Łęski J, Krzysztyńska-Kuleta O, Kalinowska-Tłuścik J, Danel T.   +4 more
europepmc   +1 more source

Computational discovery of natural medicines targeting adenosine receptors for metabolic diseases. [PDF]

Front Pharmacol
Wang P, Xu Z, Deng Y, Yuan H, Wu Y, Jiang J, Lyu Z, Li Z.   +7 more
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