Exploring QSAR Models for Activity-Cliff Prediction
machine-learning
deep-learning
k-nearest-neighbours
morgan-fingerprints
supervised-machine-learning
random-forests
circular-fingerprints
graph-neural-networks
molecular-representation
multilayer-perceptrons
qsar-models
extended-connectivity-fingerprints
molecular-property-prediction
graph-isomorphism-networks
activity-cliffs
activity-cliff-prediction
physicochemical-descriptors
binding-affinity-prediction
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Updated
May 17, 2024 - Jupyter Notebook