MolBiC: the cell-based landscape illustrating molecular bioactivities.

IF 16.6 2区生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY

Nucleic Acids Research Pub Date : 2025-01-06 DOI:10.1093/nar/gkae868

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

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引用次数: 0

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/.

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MolBiC：基于细胞的分子生物活性图谱。

细胞分子生物活性（CMB）的测量几乎对药物开发的每一步都至关重要。随着人工智能在生物医学领域的蓬勃应用，必须掌握 CMB 数据，以促进基于细胞的模式学习，从而指导现代药物研发，但目前尚未构建提供此类信息的数据库。在本研究中，我们介绍了 MolBiC，这是一个知识库，旨在描述在细胞背景下测量的分子生物活性的宝贵数据。MolBiC 收录了 550 093 个经过实验验证的 CMB，涵盖 988 个细胞系中的 321 086 个分子和 2666 个靶点。我们的 MolBiC 数据库独一无二地描述了 CMB 的宝贵数据，满足了基于 CMB 的大数据的关键需求，促进了药物发现和开发中基于细胞的分子/制药模式的学习。MolBiC 现可免费访问，无需任何登录要求，网址为：https://idrblab.org/MolBiC/。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nucleic Acids Research 生物-生化与分子生物学

CiteScore

27.10

自引率

4.70%

发文量

1057

审稿时长

2 months

期刊介绍： Nucleic Acids Research (NAR) is a scientific journal that publishes research on various aspects of nucleic acids and proteins involved in nucleic acid metabolism and interactions. It covers areas such as chemistry and synthetic biology, computational biology, gene regulation, chromatin and epigenetics, genome integrity, repair and replication, genomics, molecular biology, nucleic acid enzymes, RNA, and structural biology. The journal also includes a Survey and Summary section for brief reviews. Additionally, each year, the first issue is dedicated to biological databases, and an issue in July focuses on web-based software resources for the biological community. Nucleic Acids Research is indexed by several services including Abstracts on Hygiene and Communicable Diseases, Animal Breeding Abstracts, Agricultural Engineering Abstracts, Agbiotech News and Information, BIOSIS Previews, CAB Abstracts, and EMBASE.