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MMsINC: a large-scale chemoinformatics database
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DOI：10.1093/nar/gkn727.png)
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摘要
En 中文
MMsINC (http://mms.dsfarm.unipd.it/MMsINC/search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures. A primary goal of MMsINC is to guarantee the highest quality and the uniqueness of each entry. MMsINC then adds value to these entries by including the analysis of crucial chemical properties, such as ionization and tautomerization processes, and the in silico prediction of 24 important molecular properties in the biochemical profile of each structure. MMsINC is consequently a natural input for different chemoinformatics and virtual screening applications. In addition, MMsINC supports various types of queries, including substructure queries and the novel 'molecular scissoring' query. MMsINC is interfaced with other primary data collectors, such as PubChem, Protein Data Bank (PDB), the Food and Drug Administration database of approved drugs and ZINC.
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期刊
IF:
13.1
论文数:
3.6W
被引数:
29.0W
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引用论文
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings在药物发现和开发环境中估算溶解度和渗透性的实验和计算方法
PREAI
分享收藏分享收藏Database resources of the national center for biotechnology information国家生物技术信息中心数据库资源.png)
NUCLEIC ACIDS RESEARCHOAAI
NUCLEIC ACIDS RESEARCHIF13.1
OAAI分享收藏分享收藏ZINC - A free database of commercially available compounds for virtual screening锌-用于虚拟筛选的市售化合物的免费数据库
OAAI
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