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30 积分 2023-05-19 加入
Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns
11小时前
待确认
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
15小时前
已完结
Introducing SpaceGA: A Search Tool to Accelerate Large Virtual Screenings of Combinatorial Libraries
15小时前
已完结
Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II
2天前
已完结
In vitro cell transformation assays for an integrated, alternative assessment of carcinogenicity: a data-based analysis
1个月前
已完结
Molecular medicinal insights into scaffold hopping-based drug discovery success
3个月前
已完结
Rising Star in Immunotherapy: Development and Therapeutic Potential of Small-Molecule Inhibitors Targeting Casitas B Cell Lymphoma-b (Cbl-b)
5个月前
已完结
A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design
6个月前
已完结
FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints
6个月前
已完结
Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening
6个月前
已完结
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