Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment

  • Golbraikh A
  • Wang X
  • Zhu H
  • et al.
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Abstract

Quantitative Structure Activity Relationship (QSAR) modeling is the major cheminformatics approach to exploring and exploiting the dependency of biological, toxicological, or other types of activities or properties of chemical compound on their molecular features....

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Golbraikh, A., Wang, X. S., Zhu, H., & Tropsha, A. (2016). Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment. In Handbook of Computational Chemistry (pp. 1–48). Springer Netherlands. https://doi.org/10.1007/978-94-007-6169-8_37-3

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