Uncertainty Quantification in Molecular Machine Learning for Property Predictions under Data Shifts. [PDF]
J Chem Inf ModelParrondo-Pizarro R +2 more
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Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization
, 2016 Edward H. Kerns, Li Di
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Synthesis, characterization, and anticancer evaluation of <i>N-</i>Heterocyclic entities: ADME profiling and <i>In Silico</i> predictions. [PDF]
Toxicol RepAbbaoui Z +11 more
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LSTM-Based Prediction of Human PK Profiles and Parameters for Intravenous Small Molecule Drugs Using ADME and Physicochemical Properties. [PDF]
CPT Pharmacometrics Syst PharmacolLuo P, Chen R, Wu Z, Liu Y, Zhou T.
europepmc +1 more source
Holistic concept guided quality control of traditional Chinese medicines for optimizing bioavailability. [PDF]
Chin MedTian Y +8 more
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Molecular docking and pharmacokinetics of benzimidazole-based FtsZ inhibitors for tuberculosis. [PDF]
Sci RepSonwane PN, Kumbhare MR.
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Antibacterial activities, PASS prediction and ADME analysis of phytochemicals from Curcubita moschata, Curcubita maxima, and Irvingia gabonensis: insights from in silico studies [PDF]
Misbaudeen Abdul-Hammed +4 more
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Phytochemical Profiling, Antioxidant, and Broad-Spectrum Antimicrobial Activities of <i>Origanum vulgare</i> Essential Oil with Molecular Docking and ADME Insights. [PDF]
ACS OmegaTouaitia R +5 more
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