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JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
数据更新 2026-07-16 · 完整周期 10 篇 · 日期来源可逐条复核
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN已收录10篇完整论文周期样本，平均审稿108.1 天，中位审稿107.5 天。2025中科院3区，非OA，2025发文量154。页面含论文收到日期、录用日期、PDF、DOI和出版社网页溯源入口。
Latest Papers
最新发表论文审稿周期
审稿天数=录用日期-收到日期；保留 PDF/DOI/网页源链接
117
天
168
天
A Multimodal deep learning method for predicting drug-induced liver injury using structural and sequential molecular representations
作者Tanya Liyaqat; Tanvir Ahmad; Md Khalid Jamal
作者单位1. Sharda School of Computing Science and Engineering, Sharda University, Greater Noida, India; 2. Department of Computer Engineering, Jamia Millia Islamia, New Delhi, India
27
天
DFT and molecular docking-guided investigation of mixed-ligand octahedral Fe(III) and Cu(II) Schiff-base and albendazole complexes with antimicrobial potential
作者Mai M. Khalaf; Hany M. Abd El-Lateef; Saad Shaaban; Aly Abdou
作者单位1. Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, Saudi Arabia; 2. Department of Chemistry, Faculty of Science, Sohag University, Sohag, Egypt
83
天
Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration
作者José de Anchieta de Oliveira Filho; Elton José Ferreira Chaves; Pedro Geraldo Pascutti; Enéas Ricardo de Morais Gomes
作者单位1. Department of Biotechnology, Federal University of Paraiba, João Pessoa, Brazil; 2. Institute of Biophysics Carlos Chagas Filho, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil
106
天
Discovery of novel natural compounds as PKCθ inhibitors: structure-based virtual screening and in vitro evaluation
作者Salim Baali; Nacira Abidli; Parthiban Marimuthu; Oskari Puro; Rajendra Bhadane; Georgi Belogurov; Abdellah Sabki; Abdelkrim Kameli; Outi M. H. Salo-Ahen
作者单位1. Department of Ecology and Environmental Engineering, University of 8th May, 1945 Guelma, Guelma, Algeria; 2. Laboratory of Ethnobotany and Natural Substances, Department of Natural Sciences, Algiers, Algeria; 3. Pharmaceutical Sciences Laboratory, Pharmacy, and Structural Bioinformatics Laboratory, Biochemistry, Department of Natural and Health Sciences, Åbo Akademi University, Turku, Finland; 4. Department of Life Technologies, University of Turku, Turku, Finland; 5. Laboratory of Genetic Resources & Biotechnology, National School of Agricultural Sciences (ENSA), Algiers, Algeria
107
天
Harnessing formaldehyde detection: novel metal-doped coronene sensors to combat pollution and enable early lung cancer diagnosis
作者Ali Altharawi; Mohamed Enneiymy; Yassine Riadi; Mohammed H. Geesi; Ali Oubella; Reda A. Haggam
作者单位1. Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia; 2. Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibn Zohr University, Agadir, Morocco; 3. Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia; 4. Department of Chemistry, Faculty of Science, Islamic University of Madinah, Madinah, Saudi Arabia
108
天
Predicting drug-target interactions and binding affinity using an optimized deep learning approach
作者Sheo Kumar; Amritpal Singh
作者单位1. Department of Computer Science & Engineering, Dr. B. R. Ambedkar National Institute of Technology Jalandhar, Jalandhar, India; 2. ShriRam Institute of Information Technology (SRIIT), Banmore, India
159
天
Discovery of potent thymidine phosphorylase inhibitors from Euphorbia pulcherrima Willd. ex Klotzsch with experimental validation and computational analysis
作者Abdur Rauf; Saima Naz; Muhammad Umer Khan; Maha Munir; Zuneera Akram; Walaa F. Alsanie; Abdulhakeem S. Alamri; Amal F. Alshammary; Marcello Iriti
作者单位1. Department of Chemistry, University of Swabi, Anbar, Swabi, Pakistan; 2. Department of Biotechnology, Bacha Khan University, Charsadda, Pakistan; 3. Institute of Molecular Biology and Biotechnology, The University of Lahore, Lahore, Pakistan; 4. University of Catanzaro Magna Graecia, Catanzaro, Italy; 5. Department of Pharmacology, Faculty of Pharmaceutical Sciences, Baqai Medical University, Karachi, Pakistan; 6. Department of Clinical Laboratory Sciences, The faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia; 7. Research center for health sciences, Taif University, Taif, Saudi Arabia; 8. Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia; 9. Department of Biomedical, Surgical and Dental Sciences, University of Milan, Milan, Italy; 10. National Interuniversity Consortium of Materials Science and Technology (INSTM), Firenze, Italy
81
天
Evaluation of novel topiramate–phenolic acid conjugates as potent pancreatic α-amylase inhibitors: in vitro and in silico insights
作者Ipsa Padhy; Tripti Sharma; Anshuman Chandra; Abanish Biswas
作者单位1. Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha ‘O’ Anusandhan (Deemed to be University), Bhubaneswar, India; 2. Bombay College of Pharmacy, Mumbai, India; 3. School of Physical Sciences, Jawaharlal Nehru University, New Delhi, India; 4. Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi, India
125
天
Design of novel PI3Kα and PI3Kγ inhibitors for cancer treatment using pharmacophore, protein–ligand contacts, and machine learning methods
作者Priyanka Andola; Mukesh Doble
作者单位1. University of Hyderabad, Hyderabad, India; 2. Department of Cariology, Saveetha Dental College and Hospitals, SIMATS, Chennai, India