Results 11 to 20 of about 31,497 (236)
This review discusses the fundamental concepts and recent advancements in bioavailability and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity), which are critical parameters in drug discovery and development. Bioavailability determines the proportion of an administered drug that reaches systemic circulation in its active form ...
Afif, Iffat Syafiqoh +2 more
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FP-ADMET: a compendium of fingerprint-based ADMET prediction models [PDF]
Journal of Cheminformatics, 2021 Abstract Motivation The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of drugs plays a key role in determining which among the potential candidates are to be prioritized. In silico approaches based on machine learning methods are becoming increasing popular, but are nonetheless limited by the ...
Venkatraman, Vishwesh +1 more
openaire +5 more sources
ADMET-PrInt: Evaluation of ADMET Properties: Prediction and Interpretation
Journal of Chemical Information and ModelingGreat progress in the development of computational strategies for drug design applications has revolutionized the process of searching for new drugs. Although the focus of in silico strategies is still put on the provision of the desired activity of a compound to the considered target, characterization of a compound in terms of its physicochemical and ...
Ewelina Jamrozik +2 more
core +6 more sources
Accurate ADMET Prediction with XGBoost
CoRR, 2022 The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are important in drug discovery as they define efficacy and safety. In this work, we applied an ensemble of features, including fingerprints and descriptors, and a tree-based machine learning model, extreme gradient boosting, for accurate ADMET prediction.
Hao Tian, Rajas Ketkar, Peng Tao 0001
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Bioavailability and ADMET evaluation are essential components of modern drug discovery, as they determine whether a compound can reach systemic circulation, interact effectively with its target, and remain safe for use.
Yaktinafi Salavia
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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database [PDF]
Journal of Cheminformatics, 2018 Current pharmaceutical research and development (R&D) is a high-risk investment which is usually faced with some unexpected even disastrous failures in different stages of drug discovery. One main reason for R&D failures is the efficacy and safety deficiencies which are related largely to absorption, distribution, metabolism and excretion (ADME ...
Jie Dong +7 more
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ADMET Assays on Tecan's LabCD-ADMET System [PDF]
JALA: Journal of the Association for Laboratory Automation, 2003 Screening for ADME/Tox properties of compounds is a key step in the drug development process. Three applications defining such properties, namely Cytochrome P450 Inhibition, Serum Protein Binding and P-glycoprotein Interaction were developed and the performance of each was evaluated on Tecan's LabCD-ADMET System. The LabCD-ADMET System is an automated
Michelle Shea +10 more
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Enhancing ADMET Property Models Performance through Combinatorial Fusion Analysis. [PDF]
, 2023 Accurate prediction of Absorption, Distribution, Metabolism, Excretion, and Toxicity(ADMET) properties is crucial for drug discovery and development. However, existing computational models for ADMET predictions often lack generalizability and robustness.
Christina , Schweikert +5 more
core +2 more sources
Solubility and ADMET profiles of short oligomers of lactic acid [PDF]
, 2020 Polylactic acid (PLA) is a polymer with an increased potential to be used in different medical applications, including tissue engineering and drug-carries.
Vasile Ostafe +11 more
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, 2023 Published as part of Feng, Yaqi, Zhao, Wenjiang, Feng, Yawen & Dai, Wenli, 2023, Updated Checklist of the Crabs (Crustacea: Decapoda: Brachyura) from the Sea around the Ogasawara Islands, Japan, pp. 161-178 in Bulletin of the National Museum of Nature and Science. Series A, Zoology 49 (4) on page 168, DOI: 10.50826/bnmnszool.49.4_161, http://zenodo.org/
Feng, Yaqi +3 more
openaire +4 more sources