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Shedding Light on Synergistic Chemical Genetic Connections with Machine Learning
Sean Ekins, Jair Lage Siqueira-Neto Cell Systems Volume 1, Issue 6, Pages (December 2015) DOI: /j.cels Copyright © 2015 Elsevier Inc. Terms and Conditions
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Figure 1 Shining a Light on Chemical Space
High-throughput screens for individual molecules tend to look in a very small area of chemical space—for example, the analogy of the lamp shining light on molecules when screened individually, when there is in fact a much larger space that is unlit containing inactives (termed “dark chemical matter”). This same space may be populated by active compounds when used in combinations. Each screen with an organism, target, or chemical library represents a unique case in which new synergistic compounds might be identified outside the spotlight of compounds that are active individually. Cell Systems 2015 1, DOI: ( /j.cels ) Copyright © 2015 Elsevier Inc. Terms and Conditions
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