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dsmurrell / camb-paper

2 page application paper describing the camb package.
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The 4 steps in the introduction differ from those in the description #3

Open dsmurrell opened 10 years ago

dsmurrell commented 10 years ago

Introduction

(i) compound standardisation, (ii) descriptor calculation, (iii) preprocessing, model training and validation, and (iv) bioactivity/property prediction for new molecules.

Description

(i) compound standardisation, (ii) descriptor calculation, (iii) preprocessing, model training and validation, and (iv) visualisation.

Maybe we should change the introduction to fit the description?

isidroc commented 10 years ago

I know that this happens, but in the first case we describer the steps of model generation, and in the other part we cluster the functions.. yes, we can change as you suggest

dsmurrell commented 10 years ago

I was thinking now... move the visualisation part into the modelling part and add a new section 'prediction of new molecules'... we need to make it obvious that all the same steps are required to predict for new molecules that's why a unified package helps because you don't have to run everything through the same set of external scripts... do you like this approach... I will alter it if you do.