MolBiC: the cell-based landscape illustrating molecular bioactivities

The measurement of cell-based molecular bioactivity (CMB) is critical for almost every step of drug development. With the booming application of AI in biomedicine, it is essential to have the CMB data to promote the learning of cell-based patterns for guiding modern drug discovery, but no database providing such information has been constructed yet. In this study, we introduce MolBiC, a knowledge base designed to describe valuable data on molecular bioactivity measured within a cellular context. MolBiC features 550 093 experimentally validated CMBs, encompassing 321 086 molecules and 2666 targets across 988 cell lines. Our MolBiC database is unique in describing the valuable data of CMB, which meets the critical demands for CMB-based big data promoting the learning of cell-based molecular/pharmaceutical pattern in drug discovery and development. MolBiC is now freely accessible without any login requirement at: https://idrblab.org/MolBiC/.

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Publication Details

Journal
Nucleic Acids Research
Published
2024-10-07
DOI
https://doi.org/10.1093/nar/gkae868
Citations
2
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.72

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article

MolBiC: the cell-based landscape illustrating molecular bioactivities

Feng Ni, Yichao Ge, Lianyi Han, Shuiping Liu et al.
2 citations
Nucleic Acids Research
Computational Drug Discovery Methods
0.72
article

MolBiC: the cell-based landscape illustrating molecular bioactivities

Feng Ni, Yichao Ge, Lianyi Han, Shuiping Liu, Minjie Mou, Xiuna Sun, Yintao Zhang, Ying Zhou, Tingting Fu, Xinyuan Yu, Feng Zhu, Zhen Chen, Mengjie Yang
article en
2 citations

Abstract

The measurement of cell-based molecular bioactivity (CMB) is critical for almost every step of drug development. With the booming application of AI in biomedicine, it is essential to have the CMB data to promote the learning of cell-based patterns for guiding modern drug discovery, but no database providing such information has been constructed yet. In this study, we introduce MolBiC, a knowledge base designed to describe valuable data on molecular bioactivity measured within a cellular context. MolBiC features 550 093 experimentally validated CMBs, encompassing 321 086 molecules and 2666 targets across 988 cell lines. Our MolBiC database is unique in describing the valuable data of CMB, which meets the critical demands for CMB-based big data promoting the learning of cell-based molecular/pharmaceutical pattern in drug discovery and development. MolBiC is now freely accessible without any login requirement at: https://idrblab.org/MolBiC/.

Nucleic Acids ResearchVol. 53(D1)
Ningbo University (CN), Hangzhou Normal University (CN), Fudan University (CN), Institute of Dermatology (TH), Second Affiliated Hospital of Zhejiang University (CN), Huashan Hospital (CN), Artificial Intelligence in Medicine (Canada) (CA), Zhejiang University (CN)
National Natural Science Foundation of China, Zhejiang University, National Key Research and Development Program of China, Natural Science Foundation of Zhejiang Province
Openalex Percentile: Top 26%
Computational Drug Discovery Methods
0.72
DOIOpen Access PDFOpenAlex
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