NAFLDkb

NAFLDkb is a specialized knowledge base and platform for computer-aided drug design against non-alcoholic fatty liver disease (NAFLD). NAFLD incorporates multi-perspective information from public resources, including 40 433 research articles and 1 001 clinical trials as the source data, 581 investigational drugs, 17 therapeutic strategies, 45 therapeutic targets, 17 associated diseases, eight records of pathogenesis and 68 in vitro and in vivo models of NAFLD as the background knowledge, 1,608 repositioning candidates, 147 604 bioactive compounds, 34 419 CMap candidates, and 17 704 natural products as the candidate library for NAFLD drug development. The relationships among drug-related entities (in total 603 588 relations, e.g. drug-therapeutic strategy, drug-target, target-bioactive compound) are presented with knowledge graphs, allowing in-depth mechanistic explorations and knowledge-based modeling.NAFLDkb是一款面向非酒精性脂肪性肝病（non-alcoholic fatty liver disease, NAFLD）的计算机辅助药物研发专用知识库与平台。该知识库整合了多维度的公共资源信息：其中源数据涵盖40433篇研究论文与1001项临床试验；背景知识包含581种研发药物、17种治疗策略、45个治疗靶点、17种关联疾病、8条发病机制记录，以及68个NAFLD体外（in vitro）与体内（in vivo）模型；药物研发候选库则收录1608个药物重定位候选物、147604个生物活性化合物、34419个CMap候选物与17704个天然产物，用于NAFLD的药物研发工作。药物相关实体间共计603588条关联关系（例如药物-治疗策略、药物-靶点、靶点-生物活性化合物）以知识图谱（knowledge graphs）形式呈现，可支持深入的机制探索与知识驱动的建模。

搜集汇总

背景与挑战

背景概述

NAFLDkb是一个专门用于非酒精性脂肪肝病（NAFLD）计算机辅助药物设计的知识库平台，整合了多源公共数据，包括研究论文、临床试验、药物、靶点等，并通过知识图谱展示实体间关系以支持药物开发。该知识库涵盖丰富的背景知识和候选库，如发病机制、治疗策略、活性化合物等模块，提供浏览、工具和案例研究等功能。