Sökning: "Gökçe Geylan"

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  1. 1. Training Machine Learning-based QSAR models with Conformal Prediction on Experimental Data from DNA-Encoded Chemical Libraries

    Master-uppsats, Uppsala universitet/Institutionen för farmaceutisk biovetenskap

    Författare :Gökçe Geylan; [2021]
    Nyckelord :Machine Learning; DNA-Encoded Chemical Library; Support Vector Machine; Random Forest; Conformal Prediction; QSAR;

    Sammanfattning : DNA-encoded chemical libraries (DEL) allows an exhaustive chemical space sampling with a large-scale data consisting of compounds produced through combinatorial synthesis. This novel technology was utilized in the early drug discovery stages for robust hit identification and lead optimization. LÄS MER