GDB Databases

GDB数据库是由伯尔尼大学Reymond研究组维护的化学数据库。它通过系统枚举和生成式人工智能方法，收录了数十亿至数万亿个遵循化学稳定性与合成可行性规则的小有机分子。该数据库包含GDB-11、GDB-13、GDB-17和GDB-20等多个版本，是药物发现和虚拟筛选领域重要的公共化学空间资源。

The GDB database is a chemical database maintained by the Reymond Research Group at the University of Bern. It collects billions to tens of trillions of small organic molecules that comply with the rules of chemical stability and synthetic feasibility via systematic enumeration and generative artificial intelligence methods. This database includes multiple versions such as GDB-11, GDB-13, GDB-17 and GDB-20, and serves as an important public chemical space resource in the fields of drug discovery and virtual screening.

搜集汇总

背景与挑战

背景概述

GDB数据库是由伯尔尼大学Reymond研究组维护的公共化学空间资源，通过系统枚举和生成式人工智能方法收录了数十亿至数万亿个遵循化学稳定性与合成可行性规则的小有机分子。该数据库包含GDB-11、GDB-13、GDB-17和GDB-20等多个版本，规模庞大，是药物发现和虚拟筛选领域的重要工具。