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merck

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Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over searching structure/activity relationships (SAR) derived from large datasets, and takes the form of an accessible web application with simple deployment. Matcher is built around the mmpdb platform.

  • Updated Jul 11, 2023
  • Python

This library is made to perform feature selection based on a method originally proposed in by Sun et al. [1]. This library specifically relates to the methodology described in [2], named DEKER for decomposed kernel regression, which includes methods for identifying optimal hyperparameter values. This library was also designed for use in the context

  • Updated Jun 1, 2022
  • C++

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