Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical-Genetic Interactions

Hamid Safizadeh, Scott W. Simpkins, Justin Nelson, Sheena C. Li, Jeff S. Piotrowski, Mami Yoshimura, Yoko Yashiroda, Hiroyuki Hirano, Hiroyuki Osada, Minoru Yoshida, Charles Boone, Chad L. Myers. Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical-Genetic Interactions. Journal of Chemical Information and Computer Sciences, 61(9):4156-4172, 2021. [doi]

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