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Darshan Venkataramanan

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#graph neural networks Open access Oct 2026

AChE Molecular Machine Learning: Structure-Aware Prediction of Acetylcholinesterase Inhibitory Potency

A structure-aware molecular machine-learning pipeline for continuous prediction of acetylcholinesterase inhibitory potency from molecular structure. The project includes ChEMBL activity retrieval and curation, IC50 normalization and pIC50 transformation, Morgan fingerprints, RDKit molecular descriptors, scaffold-aware...

Darshan Venkataramanan · 0 citations
#graph neural networks Open access Oct 2026

AChE Molecular Machine Learning: Structure-Aware Prediction of Acetylcholinesterase Inhibitory Potency

A structure-aware molecular machine-learning pipeline for continuous prediction of acetylcholinesterase inhibitory potency from molecular structure. The project includes ChEMBL activity retrieval and curation, IC50 normalization and pIC50 transformation, Morgan fingerprints, RDKit molecular descriptors, scaffold-aware...

Darshan Venkataramanan · 0 citations
#graph neural networks Open access Oct 2026

AChE Molecular Machine Learning: Structure-Aware Prediction of Acetylcholinesterase Inhibitory Potency

A structure-aware molecular machine-learning pipeline for continuous prediction of acetylcholinesterase inhibitory potency from molecular structure. The project includes ChEMBL activity retrieval and curation, IC50 normalization and pIC50 transformation, Morgan fingerprints, RDKit molecular descriptors, scaffold-aware...

Darshan Venkataramanan · 0 citations

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