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A machine learning application for predicting LogP (octanol-water partition coefficient) values of molecules based on their SMILES representations. This project includes a FastAPI backend for model ...

Machine-learning models to predict ReSCoSS-calculated [1] log P values for drug-like molecules.

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In drug discovery, partition and distribution coefficients, logP and logD for octanol/water, are widely used as metrics of the lipophilicity of molecules, which in turn have a strong influence on the ...

Abstract: In this paper, we analyze four parallel sorting algorithms (bitonic, column, radix, and sample sort) with the LogP model. LogP characterizes the performance of modern parallel machines with ...