produce the area under the spectral peak of the mass of interest.
This number is then recorded in the .csv output file for the
mass of interest to give a single plate map of data for each mass.
14. Robust Z-score is calculated from % effect and is used to
identify active compounds. Robust Z-score is calculated using
the equation below:
Robust Z Àscore ¼
x À m
RSD
ð1Þ
where x is the raw data value of the well to be standardized, m is
the median of the chosen control well group, and RSD is the
robust standard deviation for the chosen control well group.
References
1. Copeland R (2003) Mechanistic considerations in high-throughput screening. Anal Biochem 320:1–12
2. Williams K, Scott J (2009) Enzyme assay
design for high-throughput screening. Methods Mol Biol 565:107–126
3. Lavery P, Brown MJ, Pope AJ (2001) Simple
absorbance-based assays for ultra-high
throughput screening. J Biomol Screen 6:3–9
4. Rogers M (1997) Light on high-throughput
screening: fluorescence-based assay technologies. Drug Discov Today 2:156–160
5. Zaman GJ, Garritsen A, de Boer T, van Boeckel
CA (2003) Fluorescence assays for highthroughput screening of protein kinases.
Comb Chem High Throughput Screen
6:313–320
6. Gokhin S, Auld D (2017) Chapter 6 Understanding luminescence-based screens. In: Bittker JA, Ross NT (eds) High throughput
screening methods: evolution and refinement.
The Royal Society of Chemistry, London.
ISBN 978-1-78261-471-4
7. Rohman M, Wingfield J (2016) Highthroughput screening using mass spectrometry
within drug discovery. Methods Mol Biol
1439:47–63
8. de Rond T, Danielewicz M, Northern T
(2015) High throughput screening of enzyme
activity with mass spectrometry imaging. Curr
Opin Biotechnol 31:1–9
9. Sinclair I, Stearns R, Pringle S, Wingfield J,
Datwani S, Hall E, Ghislain L, Majlof L, Bachman M (2016) Novel acoustic loading of a
mass spectrophotometer: toward nextgeneration high-throughput ms screening. J
Lab Autom 21(1):19–26
10. Sinclair I, Bachman M, Addison D,
Rohman M, Murray DC, Davies G,
Mouchet E, Tonge ME, Stearns RG,
Ghislain L, Datwani SS, Majlof L, Hall E,
Jones GR, Hoyes E, Olechno J, Ellson RN,
Barran PE, Pringle SD, Morris MR, Wingfield
J (2019) Acoustic mist ionization platform for
direct and contactless ultrahigh-throughput
mass spectrometry analysis of liquid samples.
Anal Chem 91(6):3790–3794
11. Acker M, Auld D (2014) Considerations for
the design and reporting of enzyme assays in
high-throughput screening applications. Perspect Sci 1(1–6):56–73
12. Griffith D, Northwood R, Owen P et al (2012)
Implementation and development of an automated, ultra-high-capacity, acoustic, flexible
dispensing platform for assay-ready plate delivery. J Lab Autom 17(5):348–358
13. Zhang JH, Chung TD, Oldenburg KR (1999)
A simple statistical parameter for use in evaluation and validation of high throughput screening assays. J Biomol Screen 4:67–73
230
Helen Plant et al.
This number is then recorded in the .csv output file for the
mass of interest to give a single plate map of data for each mass.
14. Robust Z-score is calculated from % effect and is used to
identify active compounds. Robust Z-score is calculated using
the equation below:
Robust Z Àscore ¼
x À m
RSD
ð1Þ
where x is the raw data value of the well to be standardized, m is
the median of the chosen control well group, and RSD is the
robust standard deviation for the chosen control well group.
References
1. Copeland R (2003) Mechanistic considerations in high-throughput screening. Anal Biochem 320:1–12
2. Williams K, Scott J (2009) Enzyme assay
design for high-throughput screening. Methods Mol Biol 565:107–126
3. Lavery P, Brown MJ, Pope AJ (2001) Simple
absorbance-based assays for ultra-high
throughput screening. J Biomol Screen 6:3–9
4. Rogers M (1997) Light on high-throughput
screening: fluorescence-based assay technologies. Drug Discov Today 2:156–160
5. Zaman GJ, Garritsen A, de Boer T, van Boeckel
CA (2003) Fluorescence assays for highthroughput screening of protein kinases.
Comb Chem High Throughput Screen
6:313–320
6. Gokhin S, Auld D (2017) Chapter 6 Understanding luminescence-based screens. In: Bittker JA, Ross NT (eds) High throughput
screening methods: evolution and refinement.
The Royal Society of Chemistry, London.
ISBN 978-1-78261-471-4
7. Rohman M, Wingfield J (2016) Highthroughput screening using mass spectrometry
within drug discovery. Methods Mol Biol
1439:47–63
8. de Rond T, Danielewicz M, Northern T
(2015) High throughput screening of enzyme
activity with mass spectrometry imaging. Curr
Opin Biotechnol 31:1–9
9. Sinclair I, Stearns R, Pringle S, Wingfield J,
Datwani S, Hall E, Ghislain L, Majlof L, Bachman M (2016) Novel acoustic loading of a
mass spectrophotometer: toward nextgeneration high-throughput ms screening. J
Lab Autom 21(1):19–26
10. Sinclair I, Bachman M, Addison D,
Rohman M, Murray DC, Davies G,
Mouchet E, Tonge ME, Stearns RG,
Ghislain L, Datwani SS, Majlof L, Hall E,
Jones GR, Hoyes E, Olechno J, Ellson RN,
Barran PE, Pringle SD, Morris MR, Wingfield
J (2019) Acoustic mist ionization platform for
direct and contactless ultrahigh-throughput
mass spectrometry analysis of liquid samples.
Anal Chem 91(6):3790–3794
11. Acker M, Auld D (2014) Considerations for
the design and reporting of enzyme assays in
high-throughput screening applications. Perspect Sci 1(1–6):56–73
12. Griffith D, Northwood R, Owen P et al (2012)
Implementation and development of an automated, ultra-high-capacity, acoustic, flexible
dispensing platform for assay-ready plate delivery. J Lab Autom 17(5):348–358
13. Zhang JH, Chung TD, Oldenburg KR (1999)
A simple statistical parameter for use in evaluation and validation of high throughput screening assays. J Biomol Screen 4:67–73
230
Helen Plant et al.