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3-MOLMAPs: Cutmapz.exe

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posted on 2024-11-14, 10:51 authored by Carrera, Gonçalo V. S. M., Qing-You Zhang, João Aires-de-Sousa

3-MOLMAPs: cutmapz3N.exe - Transform the Kohonen neural network pattern of activation of the structural features of a given chemical system in a numerical vector with physical-chemical meaning. Detailed information in Method-Cutmapz3N.pdf

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This work was supported by the Associate Laboratory for Green Chemistry - LAQV which is financed by National Funds from FCT/MCTES (UIDB/50006/2020 and UIDP/50006/2020).

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    MOLMAP descriptorsCodificationCheminformatics

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    CC BY 4.0

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