Xiao Ding

Yirong Zeng, Xiao Ding, Yi Zhao et al.

Fact-checking is the task of verifying the factuality of a given claim by examining the available evidence. High-quality evidence plays a vital role in enhancing fact-checking systems and facilitating the generation of explanations that are understandable to humans. However, the provision of both sufficient and relevant evidence for explainable fact-checking systems poses a challenge. To tackle this challenge, we propose a method based on a Large Language Model to automatically retrieve and summarize evidence from the Web. Furthermore, we construct RU22Fact, a novel multilingual explainable fact-checking dataset on the Russia-Ukraine conflict in 2022 of 16K samples, each containing real-world claims, optimized evidence, and referenced explanation. To establish a baseline for our dataset, we also develop an end-to-end explainable fact-checking system to verify claims and generate explanations. Experimental results demonstrate the prospect of optimized evidence in increasing fact-checking performance and also indicate the possibility of further progress in the end-to-end claim verification and explanation generation tasks.

Feng Ren, Xiao Ding, Min Zheng et al.

The AlphaFold computer program predicted protein structures for the whole human genome, which has been considered as a remarkable breakthrough both in artificial intelligence (AI) application and structural biology. Despite the varying confidence level, these predicted structures still could significantly contribute to structure-based drug design of novel targets, especially the ones with no or limited structural information. In this work, we successfully applied AlphaFold in our end-to-end AI-powered drug discovery engines constituted of a biocomputational platform PandaOmics and a generative chemistry platform Chemistry42, to identify a first-in-class hit molecule of a novel target without an experimental structure starting from target selection towards hit identification in a cost- and time-efficient manner. PandaOmics provided the targets of interest and Chemistry42 generated the molecules based on the AlphaFold predicted structure, and the selected molecules were synthesized and tested in biological assays. Through this approach, we identified a small molecule hit compound for CDK20 with a Kd value of 8.9 +/- 1.6 uM (n = 4) within 30 days from target selection and after only synthesizing 7 compounds. Based on the available data, the second round of AI-powered compound generation was conducted and through which, a more potent hit molecule, ISM042-2 048, was discovered with a Kd value of 210.0 +/- 42.4 nM (n = 2), within 30 days and after synthesizing 6 compounds from the discovery of the first hit ISM042-2-001. To the best of our knowledge, this is the first reported small molecule targeting CDK20 and more importantly, this work is the first demonstration of AlphaFold application in the hit identification process in early drug discovery.