Analytical Quality Evaluation of the Tox21 Compound Library

Analytical Quality Evaluation of the Tox21 Compound Library

The analytical quality of compounds subjected to high-throughput screening (HTS) impacts accurate interpretation of assay results, with poor quality samples potentially leading to false negatives or positives. The Tox21 “10K” library consists of over 8900 unique compounds, spanning a diverse landsca...

وصف كامل

محفوظ في:
التفاصيل البيبلوغرافية
المؤلف الرئيسي: Ann M. Richard (1296906) (author)
مؤلفون آخرون: Dingyin Tao (488326) (author), Christopher A. LeClair (2201161) (author), William Leister (1307844) (author), Kirill V. Tretyakov (20488428) (author), Edward White (8537847) (author), Ken C. Lewis (20488431) (author), Andrea Sefler (20488434) (author), Paul Shinn (4396) (author), Bradley J. Collins (9468221) (author), Dac-Trung Nguyen (2401174) (author), Lin Ye (104111) (author), Tongan Zhao (6051860) (author), Tuan Xu (338730) (author), Antony J. Williams (132578) (author), Suramya Waidyanatha (68723) (author), Russell S. Thomas (244799) (author), Raymond Tice (4240975) (author), Anton Simeonov (85099) (author), Ruili Huang (480703) (author)
منشور في: 2024
الموضوعات:
Medicine
Inorganic Chemistry
Science Policy
Environmental Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
tox21 ids ),
reflecting likely entanglement
predicted vapor pressure
ongoing epa effort
nuclear magnetic resonance
impacts accurate interpretation
aid global analysis
tox21 qc spectra
thirteen qc grades
modify qc grades
level qc score
prioritized quality bins
5 quality scores
8900 unique compounds
analytical quality control
tox21 compound library
t4 ), totaling
700 sample grades
original qc spectra
level qc results
concentration qc indicators
support hts interpretation
analytical quality evaluation
analytical quality
quality issues
support structure
unstable compounds
weakly correlated
various analyses
throughput screening
summarize thousands
sample loss
replicate sample
relate details
posing opportunities
pharmaceutical chemicals
nmr ).
modeling applications
methods applied
method amenability
made available
including liquid
generating insights
false negatives
exceeded 90
diverse landscape
based analyses
assay results
ambient conditions
also tested
4 months
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