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Precise prediction of multiple anticancer drug efficacy using multi target regression and support vector regression

G R Brindha1, B S Rishiikeshwer1, B Santhi1

  • 1SASTRA Deemed to be University, Thanjavur, Tamilnadu 613401, India.

Computer Methods and Programs in Biomedicine
|August 1, 2022
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Summary

Machine learning models predict anti-cancer drug efficacy for oral squamous cell carcinoma (OSCC). Enhanced models accurately rank drugs, aiding precision medicine in oncology by selecting optimal therapies based on tumor characteristics.

Keywords:
Computational modelsMulti target drug efficacy predictionOral squamous cell carcinomaPrecision medicineSupport vector regression

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Area of Science:

  • Oncology
  • Computational Biology
  • Bioinformatics

Background:

  • Precision medicine in oncology aims to predict anti-cancer drug efficacy using patient-specific tumor attributes.
  • Oral squamous cell carcinoma (OSCC) presents a challenge for selecting effective therapeutic strategies.

Purpose of the Study:

  • To develop and validate machine learning models for predicting the efficacy of five anti-cancer drugs in OSCC.
  • To computationally rank potential anti-cancer drugs based on predicted efficacy using tumor characteristics.

Main Methods:

  • Machine learning models, including multi-target regression (MTR) and support vector regression (SVR), were developed.
  • Novel pre-processing techniques enhanced existing models to create E_MTR, EL_MTR, EM_SVR, and ELM_SVR.
  • Models were trained and cross-validated using both real OSCC samples and theoretical samples.

Main Results:

  • MTR models showed lower error than SVR models with 30 real tumor samples.
  • With 340 theoretical samples, SVR models achieved near-zero error, outperforming MTR.
  • Enhanced models demonstrated accurate drug efficacy prediction and ranking, matching actual rankings.

Conclusions:

  • Developed statistical and machine learning models (MTR and SVR) for predicting anti-cancer drug efficacy.
  • Enhanced models, particularly EL_MTR and ELM_SVR, offer improved accuracy and precise drug ranking for personalized oncology.
  • These models support precision medicine by enabling the selection of the most suitable anti-cancer drugs for individual patients.