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Predictive Modeling with Machine Learning and Perturbation Theory
Published:
24 October 2021
by MDPI
in MOL2NET'21, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 7th ed.
congress USE.DAT-07: USA-Europe Data Analysis Trends Congress, Cambridge, UK-Bilbao, Basque Country-Miami, USA, 2021
Abstract:
PTML is a combination of Machine Learning (ML) and Perturbation Theory (PT) that allows to create prediction models in many areas of knowledge mainly in Medicinal Chemistry to handle large amounts of data representing physical and chemical properties of different organisms and biological systems under different input conditions. PTML allows to establish dispersion measurements on descriptors of physicochemical properties of different organisms with high values of sensitivity, specificity and accuracy higher than 70%
Keywords: PTML, Machine Learning, Modeling
