Results 11 to 20 of about 30,899 (248)
ADME-Space: a new tool for medicinal chemists to explore ADME properties [PDF]
Scientific Reports, 2017 AbstractWe introduce a new chemical space for drugs and drug-like molecules, exclusively based on their in silico ADME behaviour. This ADME-Space is based on self-organizing map (SOM) applied to 26,000 molecules. Twenty accurate QSPR models, describing important ADME properties, were developed and, successively, used as new molecular descriptors not ...
Bocci G. +5 more
core +7 more sources
ADME-AP: a database of ADME associated proteins [PDF]
Bioinformatics, 2002 Abstract Summary: Drug absorption, distribution, metabolism and excretion (ADME) often involve interaction of a drug with specific proteins. Knowledge about these ADME-associated proteins is important in facilitating the study of the molecular mechanism of disposition and individual response as well as therapeutic action of drugs.
Li Zhi Sun +4 more
openaire +2 more sources
Advances in Human Mass Balance Studies: An IQ Consortium Perspective on Current Practices and Emerging Trends. [PDF]
Clin Pharmacol TherHuman radiolabeled mass balance studies are crucial for comprehensively characterizing the absorption, distribution, metabolism, and excretion (ADME) of investigational drugs, providing essential data for drug development, regulatory evaluation, and product labeling.
Boer J +24 more
europepmc +2 more sources
ADM worldvolume geometry [PDF]
Nuclear Physics B - Proceedings Supplements, 2000 4 pages, Latex. Uses espcrc2.sty To appear in the proceedings of the Third Conference on Constrained Dynamics and Quantum Gravity, September, 1999. To appear in Nuclear Physics B (Proceedings Supplement)
Capovilla, Riccardo +2 more
openaire +3 more sources
, 2019 Abstrak— This article aims to fulfill administrative duties and educational supervision. Where this article is titled "Administration of special service". This article was created to fulfill the administration and supervision courses. This article is about how special service in the world of education.
openaire +2 more sources
Cumhuriyet Science Journal, 2023 Eight boron compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-311G(d) level in the water. Active sites of these compounds are determined using contour plots of frontier molecular orbital, molecular ...
Hilmi Ataseven, Koray Sayın
doaj +1 more source
ADMET and DMPK, 2018 This review discusses the disposition of the anionic surfactant, sodium dodecyl sulfate (SDS; i.e., sodium lauryl sulfate), to solubilize sparingly-soluble drugs above the surfactant critical micelle concentration (CMC), as quantitated by the ...
Alex Avdeef
doaj +1 more source
ADMET and DMPK, 2020 The accurate prediction of solubility of drugs is still problematic. It was thought for a long time that shortfalls had been due the lack of high-quality solubility data from the chemical space of drugs.
Alex Avdeef
doaj +1 more source
Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods
ADMET and DMPK, 2019 This commentary compares 233 CheqSol intrinsic solubility values (log S0) reported in the Wiki-pS0 database for 145 different druglike molecules to the 838 log S0 values determined mostly by the saturation shake-flask (SSF) method for 124 of the ...
Alex Avdeef
doaj +1 more source
ADMET and DMPK, 2020 The prediction of solubility of drugs usually calls on the use of several open-source/commercially-available computer programs in the various calculation steps.
Alex Avdeef
doaj +1 more source