PTML-LDA One-Condition model for the design of new anti-cancer compounds

Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition（2019）

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摘要

Data from preclinical assays of ChEMBL are obtained. This data is treated mathematically and a PTML-LDA model is obtained in which the conditions are analyzed individually. With this equation and the values of the descriptors of new molecules, the activity of the compound to be tested could be predicted.

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关键词

ptml-lda,one-condition,anti-cancer

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