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

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 ...

使用GatedGCN來預測化合物之logP，輸入代表結構的相鄰矩陣和對應原子的特徵，來預測辛醇/水分佈係數logP。logP越大 ...

Accurate prediction of lipophilicity-logP-based on molecular structures is a well-established field. Predictions of logP are often used to drive forward drug discovery projects. Driven by the SAMPL7 ...

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 ...