title: CurveP Method for Rendering High-Throughput Screening Dose-Response Data into Digital Fingerprints.
abstract: The nature of high-throughput screening (HTS) puts certain limits on optimal test conditions for each particular sample, therefore, on top of usual data normalization, additional parsing is often needed to account for incomplete read outs or various artifacts that arise from signal interferences.CurveP is a heuristic, user-tunable, curve-cleaning algorithm that attempts to find a minimum set of corrections, which would give a monotonic dose-response curve. After applying the corrections, the algorithm proceeds to calculate a set of numeric features, which can be used as a fingerprint characterizing the sample, or as a vector of independent variables (e.g., molecular descriptors in case of chemical substances testing). The resulting output can be a part of HTS data analysis or can be used as input for a broad spectrum of computational applications, such as Quantitative Structure-Activity Relationship (QSAR) modeling, computational toxicology, bio- and cheminformatics.
authors: Multicase Inc., 23811 Chagrin Blvd., Ste 305,, Beachwood, OH, 44122, USA. Sedykh@multicase.com.
authors: Alexander
authors: A
authors: Sedykh
mesh_terms: D000465:Algorithms; D000611:Aminobiphenyl Compounds / Q000633:toxicity; D016477:Artifacts; D002460:Cell Line; D002470:Cell Survival / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D047628:Estrogen Receptor alpha / Q000819:agonists / Q000235:genetics / Q000378:metabolism; D015870:Gene Expression; D057166:High-Throughput Screening Assays / Q000592:standards*; D006801:Humans; D021281:Quantitative Structure-Activity Relationship; D015203:Reproducibility of Results; D012984:Software; D015262:Xenobiotics / Q000633:toxicity*
chemical_list: D000611:Aminobiphenyl Compounds; C506487:ESR1 protein, human; D047628:Estrogen Receptor alpha; D015262:Xenobiotics; C006757:4-biphenylamine
keywords: Heuristics; Monotonicity; Nonparametric fitting