QSAR-activity-cliff-experiments
PublicExploring QSAR Models for Activity-Cliff Prediction
activity-cliff-predictionactivity-cliffsbinding-affinity-predictioncircular-fingerprintsdeep-learningextended-connectivity-fingerprintsgraph-isomorphism-networksgraph-neural-networksk-nearest-neighboursmachine-learning
Creat:2023-01-18T19:08:20
Update:2024-11-24T21:22:38
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00708-w
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