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药物设计

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材料科学
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经济学与金融学
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药物设计论文


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药物-蛋白质亲和力预测 药物-靶标相互作用预测 药物重定向 分子性质预测 蛋白质-蛋白质亲和力预测
药物代谢 药物毒理学 药物安全 抗原表位预测 药物-药物相互作用预测
基于配体的从头药物设计 基于受体的从头药物设计 药物知识图谱 药物-靶标的分子对接 分子逆合成设计
AI分子生成 抗体药物发现 免疫治疗(含CAR-T) 制药公司论文 AI4Drug-Papers

药物重定向

1 Machine and deep learning approaches for cancer drug repurposing. SEMINARS IN CANCER BIOLOGY. 2021 pdf
2 Deep learning for drug repurposing: Methods, databases, and applications. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 2022
3 How has artificial intelligence impacted COVID-19 drug repurposing and what lessons have we learned? EXPERT OPINION ON DRUG DISCOVERY. 2022 pdf
4 A comprehensive review of artificial intelligence and network based approaches to drug repurposing in Covid-19. BIOMEDICINE & PHARMACOTHERAPY.2022 pdf
5 New Insights Into Drug Repurposing for COVID-19 Using Deep Learning. IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS. 2021
6 Drug repositioning in drug discovery of T2DM and repositioning potential of antidiabetic agents. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL.2022 pdf
7 Artificial intelligence, machine learning, and drug repurposing in cancer. EXPERT OPINION ON DRUG DISCOVERY. 2021 pdf
8 Applications of artificial intelligence in drug development using real-world data. DRUG DISCOVERY TODAY. 2021 pdf
9 Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods. DRUG DISCOVERY TODAY.2022 pdf
10 A deep learning framework for drug repurposing via emulating clinical trials on real-world patient data. NATURE MACHINE INTELLIGENCE.2021 .
11 Machine learning identifies candidates for drug repurposing in Alzheimer's disease. NATURE COMMUNICATIONS. 2021 pdf
12 Prediction of repurposed drugs for Coronaviruses using artificial intelligence and machine learning. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL. 2021 pdf
13 Recent advances in drug repurposing using machine learning. CURRENT OPINION IN CHEMICAL BIOLOGY. 2021 pdf
14 An Analytical Review of Computational Drug Repurposing. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS. 2021
15 Drug repurposing for COVID-19: Approaches, challenges and promising candidates. PHARMACOLOGY & THERAPEUTICS. 2021 pdf
16 GCMM: graph convolution network based on multimodal attention mechanism for drug repurposing. BMC BIOINFORMATICS. 2022 pdf
17 Identification of SARS-CoV-2 main protease inhibitors from FDA-approved drugs by artificial intelligence-supported activity prediction system. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS . 2021
18 Using informative features in machine learning based method for COVID-19 drug repurposing. JOURNAL OF CHEMINFORMATICS. 2021 pdf
19 DeepLPI: a novel deep learning-based model for protein-ligand interaction prediction for drug repurposing. SCIENTIFIC REPORTS. 2022 pdf
20 A Study of Drug Repurposing to Identify SARS-CoV-2 Main Protease (3CLpro) Inhibitors. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. 2022 pdf
21 A review on drug repurposing applicable to COVID-19. BRIEFINGS IN BIOINFORMATICS. 2021
22 BETA: a comprehensive benchmark for computational drug-target prediction. BRIEFINGS IN BIOINFORMATICS. 2022
23 Artificial intelligence framework identifies candidate targets for drug repurposing in Alzheimer's disease. ALZHEIMERS RESEARCH & THERAPY.2022 pdf
24 Repurposing FDA-approved drugs as HIV-1 integrase inhibitors: an in silico investigation. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2022
25 Deep learning in target prediction and drug repositioning: Recent advances and challenges. DRUG DISCOVERY TODAY. 2022 pdf
26 Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2. COMPUTERS IN BIOLOGY AND MEDICINE2022 pdf
   
   
   
   

 


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