Eli Lilly / Eli Lilly and Company / Molecular Design Ltd. / Sigma-Aldrich / Suzuki / InterBioScreen Ltd / /
Facility
Institute Science / MLSMR library / A library / University of Minnesota / NP library / This library / /
IndustryTerm
chemical space / imidazo-fused ring systems / chemical synthesis / chemical reactions / breadth-first search fashion / pharmaceutical industry / decomposition search trees / physico-chemical properties / natural products / subsequent applications / dot product / chemical compounds / search tree / chemical complexity / decomposition search tree height / /
Organization
Institute for Therapeutics Discovery and Development / Chemical Compounds Using Machine Learning Methods Yevgeniy Podolyan / † Michael A. Walters / ‡ and George Karypis∗ / † Department of Computer Science and Computer Engineering / Department of Medicinal Chemistry / University of Minnesota / Minneapolis / /
Person
George Karypis / Michael A. Walters / /
Position
Route Designer / DRsvm model for synthetic accessibility prediction / /
Product
Tanimoto / /
ProvinceOrState
Minnesota / /
Technology
Drug Discovery / rational drug design / Machine Learning / /
Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods Yevgeniy Podolyan,† Michael A. Walters,‡ and George Karypis∗,† Department of Computer Science and Computer Engineering, Unive