1. Metabolic phenotyping 2. Metabonomics 3. Metabolomics 4. Drug Discovery 5. Drug Development 6. Attrition 7. Target Discovery 8. Drug Efficacy 9. Drug Safety 10. Pharmacometabonomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2018) Applications of metabolic phenotyping in pharmaceutical research and development. In: Lindon, John C., Nicholson, Jeremy K. and Holmes, Elaine, (eds.) The Handbook of Metabolic Phenotyping. Elsevier, pp. 407-448. ISBN 978-0128122938

10th Anniversary IDDST Conference, 2012, China, drug discovery, meeting highlights, Nanjing

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2013) Report on the 10th Anniversary of International Drug Discovery Science and Technology Conference, 8-10 November 2012, Nanjing, China. Expert Opinion on Drug Discovery, 8 (3). pp. 357-361. ISSN 1746-0441 (Print), 1746-045X (Online) (doi:10.1517/17460441.2013.762353)

Academic, Drug discovery, High throughput screening, HTS, Molecular probes, Pan-assay interference compounds (PAINS)

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) Academic drug discovery: Current status and prospects. Expert Opinion on Drug Discovery, 10 (9). pp. 937-944. ISSN 1746-0441 (Print), 1746-045X (Online) (doi:10.1517/17460441.2015.1059816)

C. elegans worms, genetic mutants, ageing, NMR, metabolic profiling, metabonomics

Said, Mohamed, Thompson, Elinor ORCID: https://orcid.org/0000-0002-6434-9290 and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2019) Metabolic ageing in the C. elegans worm and modulation by genetic knock-out, phototherapy and drugs. In: UK C.elegans meeting, 16th September 2019, Imperial College London, Sir Alexander Fleming Building, Imperial College Rd, London, UK. (Unpublished)

High Throughput Screening (HTS); Screening file; Molecular redundancy; Lead discovery efficiency

Bakken, Gregory A., Bell, Andrew S., Boehm, Markus, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Gonzales, Rosalia, Hepworth, David, Klug-McLeod, Jacquelyn L., Lanfear, Jeremy, Loesel, Jens, Mathias, John and Wood, Terence P. (2012) Shaping a screening file for maximal lead discovery efficiency and effectiveness: elimination of molecular redundancy. Journal of Chemical Information and Modeling, 52 (11). pp. 2937-2949. ISSN 1549-9596 (Print), 1549-960X (Online) (doi:10.1021/ci300372a)

KRAS, mutations, HCT116, cells, colorectal cancer, metabonomics, metabolomics, metabolic profiling, NMR

Varshavi, Dorna, Varshavi, Dorsa, McCarthy, Nicola, Veselkov, Kirill, Keun, Hector C. and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2021) Metabonomics study of the effects of single copy mutant KRAS in the presence or absence of WT allele using human HCT116 isogenic cell lines. Metabolomics, 17 (12):104. ISSN 1573-3882 (Print), 1573-3890 (Online) (doi:10.1007/s11306-021-01852-w)

KRAS, mutations, SW48, cells, colorectal cancer, metabonomics, metabolomics, metabolic profiling, NMR

Varshavi, Dorna, Varshavi, Dorsa, Veselkov, Kirill, McCarthy, Nicola, Keun, Hector C. and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2020) Metabolic characterization of colorectal cancer cells harbouring different KRAS mutations in codon 12, 13, 61 and 146 using human SW48 isogenic cell lines. Metabolomics, 16 (4):51. ISSN 1573-3882 (Print), 1573-3890 (Online) (doi:10.1007/s11306-020-01674-2)

Metabonomics Pharmacometabonomics FMO5 Metabolite Identification

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) From metabonomics to pharmacometabonomics: Mice, men and microbiota. In: Neuviemes Journees Scientifiques du Reseau Francais de Metabolomique et Fluxomique, 9 -11 June 2015, Lille, France. (Unpublished)

Metabonomics Pharmacometabonomics Personalised Medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) From metabonomics to pharmacometabonomics: Mice, men and m microbiota. In: University College London Spring Seminars, 25 February 2015, University College London, UK.

Metabonomics, Pharmacometabonomics, FMO5

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) Pharmacogenomics and pharmacometabonomics for personalised medicine. In: FOCUS 2015: National Meeting of the Association for Clinical Biochemistry & Laboratory Medicine, 8-11 June 2015, Cardiff, Wales.

Metabonomics, Pharmacometabonomics, Metabolite identification

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) From metabonomics to pharmacometabonomics: An NMR-based excursion from metabolite profiling to precision medicine. In: Invited Lecture at Institute of Food Research, 19 March 2015, Institute of Food Research, Norwich, UK.

Metabonomics, metabolomics, pharmacometabonomics, pharmacometabolomics, predictive metabonomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Loo, Ruey Leng and Pullen, Francis S. (2013) Pharmacometabonomics and personalized medicine. Annals of Clinical Biochemistry, 50 (6). pp. 523-545. ISSN 0004-5632 (Print), 1758-1001 (Online) (doi:10.1177/0004563213497929)

Metabonomics; Pharmacometabonomics; Metabolomics; Pharmacometabolomics; Prediction of PK; Metabolic profiling

Varshavi, Dorsa, Varshavi, Dorna and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2016) The role of pharmacometabonomics in predicting drug pharmacokinetics. International Journal of Pharmacokinetics, 1 (1). pp. 5-8. ISSN 2053-0846 (Print), 2053-0854 (Online) (doi:10.4155/ipk-2016-0010)

Metabonomics; metabolomics; pharmacometabonomics; pharmacometabolomics; personalised medicine; metabolic profiling

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2016) From metabonomics to pharmacometabonomics: The role of metabolic profiling in personalized medicine. Frontiers in Pharmacology, 7:297. ISSN 1663-9812 (doi:10.3389/fphar.2016.00297)

Metabonomics; Metabolomics; Metabolite Profiling; Metabolite Identification; MICE; tMICE; NMR

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 and Sanchon Lopez, Beatriz (2016) New Approaches to NMR-Based Metabolite Identification. In: 12th Annual Conference of the Metabolomics Society, 27 June 2016 - 30 June 2016, Dublin, Eire.

NMR spectroscopy, biofluids, metabolites, pattern recognition, chemometrics, classification, toxicity, metabonomics, disease

Lindon, John C., Nicholson, Jeremy K., Holmes, Elaine and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2000) Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids. Concepts in Magnetic Resonance, 12 (5). pp. 289-320. ISSN 1552-5023 (online) (doi:10.1002/1099-0534(2000)12:5<289::AID-CMR3>3.0.CO;2-W)

NMR spectroscopy; Metabonomics; Pharmacometabonomics; Metabolic profiling; Personalised or precision medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2017) NMR-based pharmacometabonomics: A new paradigm for personalised or precision medicine. Progress in Nuclear Magnetic Resonance Spectroscopy, 102-3. pp. 1-14. ISSN 0079-6565 (Print), 1873-3301 (Online) (doi:10.1016/j.pnmrs.2017.04.003)

NMR, MRI, Drug discovery, Drug development, Drug manufacture, Regulatory affairs, Drug patents

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Harris, Robin, Lindon, John and Wilson, Ian (eds.) (2015) NMR in pharmaceutical sciences. eMagRes Books . Wiley. ISBN 9781118997666

Nuclear magnetic resonance (NMR) spectroscopy, Metabolite identification, Molecular structure, Metabonomics etabolomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Dona, Anthony C., Kyriakides, Michael, Scott, Flora, Shephard, Elizabeth A., Varshavi, Dorsa and Veselkov, Kirill (2016) A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. Computational and Structural Biotechnology Journal, 14. pp. 135-153. ISSN 2001-0370 (Print), 2001-0370 (Online) (doi:10.1016/j.csbj.2016.02.005)

Nuclear magnetic resonance spectroscopy, NMR, MRS, MRI, Drug discovery, Drug development, Metabonomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) Drug discovery and development: the role of NMR. eMagRes. John Wiley & Sons, Ltd., London, UK, pp. 137-150. ISBN 9780470034590 (doi:10.1002/9780470034590.emrstm1389)

Pharmacometabonomics Metabonomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2014) Pharmacometabonomics: The ability to use pre-dose metabolite profiles to predict drug responses. In: EMBL Practical Course: Metabolomics Bioinformatics for Life Scientists, 17- 21 March, 2014, Hinxton Genome Campus, UK.

Rule of 40; Ro40; High Throughput Screening; HTS; Plate-Based; Diversity; Subset; Screening File; 2nd Generation; Lead discovery

Bell, Andrew S., Bradley, Joseph, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Loesel, Jens, McLoughlin, David, Mills, James, Peakman, Marie-Claire, Sharp, Robert E., Williams, Christine and Zhu, Hongyao (2016) Plate-based diversity subset screening generation 2: An improved paradigm for high throughput screening of large compound files. Molecular Diversity, 20 (4). pp. 789-803. ISSN 1381-1991 (Print), 1573-501X (Online) (doi:10.1007/s11030-016-9692-9)

ageing, C. elegans, flavin monooxygenase

Said, Mohamed, Ferrara, Bill T. ORCID: https://orcid.org/0000-0002-2163-4032, Aprodu, Andrea, Cabreiro, Filipe, Thompson, Elinor P. ORCID: https://orcid.org/0000-0002-6434-9290 and Everett, Jeremy (2024) Transcriptional analysis of C. elegans fmos at different life stages and their roles in ageing. Molecular Genetics and Genomics, 299:113. ISSN 1617-4615 (Print), 1617-4623 (Online) (doi:10.1007/s00438-024-02201-x)

allyl formate, metabonomics, metabolomics, Magic Angle Spinning, Nuclear Magnetic Resonance, liver, plasma, urine, Partial Least Squares, Orthogonal-Partial Least Squares, pattern recognition

Yap, Ivan K.S., Clayton, T. Andrew, Tang, Huiru, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Hanton, Gilles, Provost, Jean-Pierre, Le Net, Jean-Loic, Charuel, Claude, Lindon, John C. and Nicholson, Jeremy K. (2006) An integrated metabonomic approach to describe temporal metabolic disregulation induced in the rat by the model hepatotoxin allyl formate. Journal of Proteome Research, 5 (10). pp. 2675-2684. ISSN 1535-3893 (Print), 1535-3907 (Online) (doi:10.1021/pr0601584)

anti-aging; spermidine; autophagy; human dose; cardiovascular; natural; longevity; safety

Keohane, Patrick, Everett, Jeremy, Pereira, Rui, EVERETT, Jeremy, Blonquist, Traci and Mah, Eunice (2024) Supplementation of spermidine at 40 mg/day has minimal effects on circulating polyamines: an exploratory double-blind randomized controlled trial in older men. Nutrition Research, 132. ISSN 0271-5317 (Print), 1879-0739 (Online) (doi:10.1016/j.nutres.2024.09.012)

anti-obesogenic; cholesterol-lowering; mouse; 2, 3-butanediol; metabonomics

Everett, Jeremy, Varshavi, Dorsa, Shephard, Elizabeth, and Veeravalli, Sunil (2021) Patent - Treatment of obesity and related conditions. .

antibiotic; gut microbiome; metabolite; NMR (nuclear magnetic resonance) spectroscopy; stomach; urine

Veeravalli, Sunil, Varshavi, Dorsa, Scott, Flora H, Varshavi, Dorna, Pullen, Francis, Veselkov, Kirill, Phillips, Ian R, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 and Shephard, Elizabeth (2022) Treatment of wild-type mice with 2,3-butanediol, a urinary biomarker of Fmo5-/- mice, decreases plasma cholesterol and epididymal fat deposition. Frontiers in Physiology, 13:859681. pp. 1-13. ISSN 1664-042X (Online) (doi:10.3389/fphys.2022.859681)

chemotherapy, diagnosis, drug metabolism, genomics, metabolomics, metabonomics, personalised health care, pharmacogenomics, pharmacometabonomics, prognosis, surgery, toxicity

Nicholson, Jeremy K., Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 and Lindon, John C. (2012) Longitudinal pharmacometabonomics for predicting patient responses to therapy: drug metabolism, toxicity and efficacy. Expert Opinion on Drug Metabolism & Toxicology, 8 (2). pp. 135-139. ISSN 1742-5255 (doi:10.1517/17425255.2012.646987)

ethionine, galactosamine, isoniazid, thioacetamide, liver, hypertyrosinemia, tyrosine aminotransferase, rat

Clayton, T. Andrew, Lindon, John C., Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Charuel, Claude, Hanton, Gilles, Le Net, Jean-Loic, Provost, Jean-Pierre and Nicholson, Jeremy K. (2006) Hepatotoxin-induced hypertyrosinemia and its toxicological significance. Archives of Toxicology, 81 (3). pp. 201-210. ISSN 0340-5761 (Print), 1432-0738 (Online) (doi:10.1007/s00204-006-0136-7)

fermentation, microbes, mixed cultures, NMR spectroscopy, metabonomics

Hakalehto, Elias, Laatkainen, Reino, Pesola, Jouni, Dahlquist, Erik and Everett, Jeremy (2024) Chapter 3. Mixed strain fermentation and metabolomics for solving issues of bioproduction. In: Hakalehto, Elias, (ed.) Mixed Cultures in Industrial Bioprocesses. Advances in Biochemical Engineering/Biotechnology (ABE), 189 . Springer Cham, Berlin; Heidelberg, pp. 1-19. ISBN 978-3031735257; 978-3031735288; 978-3031735264 (doi:10.1007/10_2024_266)

lead discovery, molecular redundancy, HTS, plate based diversity screening

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2013) New approaches to the design of large screening files for lead discovery. In: Lifescience R&D Big Data Leaders Forum, 3-5 Dec 2013, Basel, Switzerland.

metabolite identification efficiency (MIE), metabolite identification carbon efficiency (MICE), metabonomics, metabolomics, NMR spectroscopy, molecular spectroscopic information,

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) A new paradigm for known metabolite identification in metabonomics/metabolomics: Metabolite identification efficiency. Computational and Structural Biotechnology Journal, 13. pp. 131-144. ISSN 2001-0370 (doi:10.1016/j.csbj.2015.01.002)

metabolomics, metabonomics, NMR spectroscopy, personalized medicine, pharmacometabolomics, pharmacometabonomics, precision medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2015) Pharmacometabonomics in humans: a new tool for personalized medicine. Pharmacogenomics, 16 (7). pp. 737-754. ISSN 1462-2416 (doi:10.2217/PGS.15.20)

metabonomics

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2006) Metabolic applications in clinical pharmaceutical R&D. In: Lindon, John C., Nicholson, Jeremy K. and Holmes, Elaine, (eds.) The Handbook of Metabonomics and Metabolomics. Elsevier, Amsterdam, The Netherlands, pp. 279-287. ISBN 9780444528414

metabonomics, metabolic profiling, genetic knock-out, FMO5, body weight, cholesterol, glucose, malic enzyme 1, white adipose tissue,

Gonzalez Malagon, Sandra G., Melidoni, Anna N., Hernandez, Diana, Omar, Bilal A., Houseman, Lyndsey, Veeravalli, Sunil, Scott, Flora, Varshavi, Dorsa, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Tsuchiya, Yugo, Timms, John F., Phillips, Ian R. and Shephard, Elizabeth A. (2015) The phenotype of a knockout mouse identifies flavin-containing monooxygenase 5 (FMO5) as a regulator of metabolic ageing. Biochemical Pharmacology, 96 (3). pp. 267-277. ISSN 0006-2952 (doi:10.1016/j.bcp.2015.05.013)

metabonomics, metabolomics, ageing, C57BL/6J, FMO5 KO, urine, plasma, 6-hydroxy-6-methyl-heptan-3-one

Scott, Flora H., Varshavi, Dorsa, Veeravalli, Sunil, Phillips, Ian R., Veselkov, Kirill, Strittmatter, Nicole, Takats, Zoltan, Shephard, Elizabeth A. and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2018) Metabolic biomarkers of ageing in C57BL/6J wild-type and flavin-containing monooxygenase 5 (FMO5)-knockout mice. Frontiers in Molecular Biosciences, 5:28. ISSN 2296-889X (Online) (doi:10.3389/fmolb.2018.00028)

metabonomics, metabolomics, metabotypes, metabolic entropy, systems medicine, personalised medicine, pharmacometabonomics, precision medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Holmes, Elaine, Veselkov, Kirill A., Lindon, John C. and Nicholson, Jeremy K. (2019) A unified conceptual framework for metabolic phenotyping in diagnosis and prognosis. Trends in Pharmacological Sciences, 40 (10). pp. 763-773. ISSN 0165-6147 (Print), 1873-3735 (Online) (doi:10.1016/j.tips.2019.08.004)

metabonomics, metabolomics, taurine, hypotaurine, biosynthesis, medicine, humans, Drug Metabolism and Disposition, bioRxiv preprint server

Veeravalli, Sunil, Phillips, Ian R., Freire, Rafael T., Varshavi, Dorsa, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 and Shephard, Elizabeth A. (2020) Flavin-Containing Monooxygenase 1 (FMO1) catalyzes the production of taurine from hypotaurine. Drug Metabolism and Disposition, 48 (4). ISSN 0090-9556 (Print), 1521-009X (Online) (doi:10.1124/dmd.119.089995)

metabonomics, pharmacometabonomics, NMR spectroscopy

Cunningham, Katharine, Claus, Sandrine P., Lindon, John C., Holmes, Elaine, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Nicholson, Jeremy K. and Coen, Muireann (2012) Pharmacometabonomic characterization of xenobiotic and endogenous metabolic phenotypes that account for inter-individual variation in isoniazid-induced toxicological response. Journal of Proteome Research, 11 (9). pp. 4630-4642. ISSN 1535-3893 (Print), 1535-3907 (Online) (doi:10.1021/pr300430u)

metabonomics, pharmacometabonomics, NMR spectroscopy, prediction, personalised healthcare

Clayton, T. Andrew, Lindon, John C., Cloarec, Olivier, Antti, Henrik, Charuel, Claude, Hanton, Gilles, Provost, Jean-Pierre, Le Net, Jean-Loïc, Baker, David, Walley, Rosalind J., Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 and Nicholson, Jeremy K. (2006) Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature, 440 (7087). pp. 1073-1077. ISSN 0028-0836 (Print), 1476-4687 (Online) (doi:10.1038/nature04648)

metabonomics, pharmacometabonomics, precision personalised medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2014) Pharmacometabonomics: An important new paradigm for precision medicine. In: Metabomeeting 2014, 10-12 Sep 2014, The Royal Institution, London, UK. (Unpublished)

metabonomics; metabolic profiling; NMR spectroscopy; metabolite topology; topological metabolite identification carbon efficiency (tMICE); topological metabolite identification nitrogen and carbon efficiency (tMINCE)

Sanchon-Lopez, Beatriz and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2016) New methodology for known metabolite identification in metabonomics / metabolomics: topological metabolite identification carbon efficiency (tMICE). Journal of Proteome Research, 15 (9). pp. 3405-3419. ISSN 1535-3893 (Print), 1535-3907 (Online) (doi:10.1021/acs.jproteome.6b00631)

nematode, ageing, metabolism, flavin monooxygenase, phototherapy, longevity

Said, Mohamed, Thompson, Elinor ORCID: https://orcid.org/0000-0002-6434-9290 and Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2021) Modulation of ageing by genetic knock-out, phototherapy and drugs in the C. elegans worm. In: Metabolism of Ageing, 06 - 08 Sep 2021, online. (Unpublished)

pharmacometabonomics, metabonomics, precision medicine, personalised medicine

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2013) New approaches to personalised medicine via pharmacometabonomics. In: Lifescience R&D Big Data Leaders Forum, 3-5 Dec 2013, Basel, Switzerland.

pharmacometabonomics, pharmacometabolomics, personalised medicine, precision medicine, metabonomics, metabolomics, biofluids, NMR spectroscopy

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Lindon, John and Nicholson, Jeremy (2016) Pharmacometabonomics and predictive metabonomics: New tools for personalised medicine. In: Nicholson, Jeremy, Darzi, A, Lindon, John and Holmes, Elaine, (eds.) Metabolic Phenotyping in Personalized and Public Healthcare. Elsevier Science Publishing Co Inc, pp. 137-165. ISBN 9780128003442 (doi:10.1016/B978-0-12-800344-2.00006-9)

pharmacometabonomics, pharmacometabolomics, precision medicine, personalised medicine, metabonomics, metabolomics, metabotypes, metabolic phenotyping, systems medicine, NMR spectroscopy

Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482 (2019) Pharmacometabonomics: the prediction of drug effects using metabolic profiling. In: Barrett, James E., Page, Clive P. and Michel, Martin C., (eds.) Concepts and Principles of Pharmacology: 100 Years of the Handbook of Experimental Pharmacology. Handbook of Experimental Pharmacology, 260 . Springer, Cham, Switzerland, pp. 263-300. ISBN 978-3030353612 (doi:10.1007/164_2019_316)

rule of 40 (Ro40), high throughput screening, (HTS), plate based, diversity, subset, screening file

Bell, Andrew S., Bradley, Joseph, Everett, Jeremy ORCID: https://orcid.org/0000-0003-1550-4482, Knight, Michelle, Loesel, Jens, Mathias, John, McLoughlin, David, Mills, James, Sharp, Robert E., Williams, Christine and Wood, Terence P. (2013) Plate-based diversity subset screening: an efficient paradigm for high throughput screening of a large screening file. Molecular Diversity, 17 (2). pp. 319-335. ISSN 1381-1991 (Print), 1573-501X (Online) (doi:10.1007/s11030-013-9438-x)