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Initially, based on a total number of 11 nuclear receptors and 9633 molecular compounds with EC50 values were derived from ONRLDB [39], a series of PCM modelling were generated to predict the inhibition ability for NR-inhibitors.
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Ten models were generated with Modeller.
Initially ten homology models were generated using Modeller v9.0 [ 23] and one model was generated using SWISS-MODEL web server [ 19].
The models were generated using Modeller 9.10 and analysed by Molprobity (Davis et al. 2007).
Models were generated using the Modeller software.
These general linear models (fixed-effects model) were generated with main effects and all interaction terms.
Models were generated using the Maxent algorithm.
These initial models were generated using various descriptor sets.
180 numbers of finite element models were generated.
Finally, 3D models were generated, and structural calculations were performed.
The models were generated using skull CT scan data.
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