QSPR/QSAR: State-of-art, Weirdness, the Future

Andrey Toropov; Alla Toropova

doi:10.20944/preprints202001.0325.v1

Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 24 January 2020 / Approved: 27 January 2020 / Online: 27 January 2020 (09:29:19 CET)

Ability of quantitative structure – property / activity relationships (QSPRs/QSARs) to serve for epistemological processes in natural sciences is discussed. Some weirdness of QSPR/QSAR state-of-art are listed. There are some contradictions in the research results in this area. Sometimes, these should be classified as paradoxes or weirdness. These points often are ignored. Here these are listed and briefly commented. In addition, hypothesises on the future evolution of the QSPR/QSAR theory and practice are suggested.

QSAR evolution; Multi-target QSAR; Monte Carlo method; Fuzzy sets

Biology and Life Sciences, Biochemistry and Molecular Biology

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QSPR/QSAR: State-of-art, Weirdness, the Future

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