Consus Pharmacophore Modelling Using Alligned Ligand Complexes and Machine Learning (K-means)
Автор: PracticalCheminformatics
Загружено: 2025-11-19
Просмотров: 242
Описание:
In this video, we will use the K-Means algorithm to generate a consensus pharmacophore model created from sequence-aligned protein-ligand complexes.
K-means is an unsupervised machine learning algorithm that partitions data into k clusters by iteratively assigning data points to the nearest cluster centroid and then recalculating the centroids. It works by minimising the distance between data points and their assigned cluster's centroid, aiming to create clusters with high intra-cluster similarity and low inter-cluster similarity.
Colab Notebook: https://colab.research.google.com/dri...
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