/tools/DEEPScreen

DEEPScreen

cansyl/DEEPScreen

115 stars44 forksPythonAdded February 4, 2026
summary

DEEPScreen is a virtual screening tool that utilizes deep convolutional neural networks to predict drug-target interactions based on 2-D structural representations of compounds. It is aimed at enhancing early-stage drug discovery by providing accurate predictions from compound images.

description

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

topics

drug-discoverydrug-repurposingmachine-learningdeep-learningconvolutional-neural-networks2d-images-of-compoundsdrug-target-interactionsprediction-modelbioinformaticscheminformaticshyper-parameter-optimizationperformance-evaluationcommand-line-tool

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