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˹ˎаl: ɽ񽛾Wjӱģ

    ϺƼW߻WоƸYAԺʿFJournal of Medicinal ChemistrylPushingthe Boundaries of Molecular Representation for Drug Discovery with the GraphAttention MechanismBһNעCƵĈD񽛾Wjģ(Attentive FPԓģͿڷӱ99Ʊעƽ̨¼ڶˎlFPĔϵAyF_ǰ99Ʊעƽ̨¼ԓģWăݾпɽɽ˹(Explainable AI)AIǰо֮һ۽ϵyԺͿɽጵķʽʬF˹Wďs߉݋׌˹ܵAyõر˹ˎOӋоc֮һҲᘌԵ_l˸ϻWڽxģAttentive FP99Ʊעƽ̨¼ԓFʹÈD񽛾Wj̎ԭӺIķӈDYͨ^ԭˮƽͷˮƽעC99Ʊעƽ̨¼ʹõķӈDģͼͿɽ99Ʊעƽ̨¼ģ[،ԪMпҕ԰lF99Ʊעƽ̨¼99Ʊעƽ̨¼Attentive FPԄӏض΄ЌWӽYȷǾֲ˿ԎˎWһ򻯌WҳԽֱXĸN|ԔЫ@ȡԓӽYӵ







    ˹ĘRe99Ʊעƽ̨¼ZReCgԄ{ȷđЕrҪPע㷨Wʲôʲô@ӵД99Ʊעƽ̨¼99Ʊעƽ̨¼ֻ_ľȼˎlF@ƌW}иIJ_99Ʊעƽ̨¼ͨ˹ܰˎlF̰kǰˎWҕԼĽֱXͬrϣԽԽˎаlмȡµҊķeۺȌW㷨đÿԽʴ_Ayģ@ЩAyDzܱfyԱˎWôyȡˎWҵMöɞˎlFزٵĭhYAF_lĻעCƵĿɽገD񽛾WjָyAttentive FPnj˹ܵĿɽˎlFе̽99Ʊעƽ̨¼CJ֪c˵J֪BڸõÙCJ֪ˎWҵJ֪@ǰcˎоoܽYϵ̽ܮaČHÃrֵ


    Փ朽https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00959

    Attentive FPahttps://github.com/OpenDrugAI/AttentiveFP



 
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Ϻ֖|…^A·393̖֘ 201210
]: siais@shanghaitech.edu.cn

 

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