Ninad Janardan Dani on Muck Rack

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Bridging the Gap Between Drug-Target Affinity and Cellular Response: The Role of Attention Mechanisms in Multimodal CADD

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By Nilesh Deshmukh, Ninad Janardan Dani
| ijfmr.com
In computer-aided drug design (CADD), drug-target affinity (DTA) and drug response prediction (DRP) are traditionally treated as distinct, isolated pipelines. While DTA focuses on microscopic molecular interactions, DRP models complex macroscopic cellular efficacy. This siloed approach creates a significant representation bottleneck, failing to exploit the overlapping semantic features shared between chemical structures and biological environments.
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