预测|英国两院院士领衔，中外专家畅谈AI药物发现（上）( 四 )_问题|刘大鹏博|药物|领域|结构

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陈奕婷女士
生命健康领域资深投资人
我不认为AlphaFold降低了小分子研发的门槛。 AlphaFold仅仅完成了最初始的蛋白质结构解析。实际上，从蛋白质结构到做药，中间还涉及到好几个关键节点，比如蛋白质和疾病之间关系的探索和验证、化合物结构的设计等。这些环节AlphaFold并没有涉及。
现在，正有其他的AI公司在这些关键节点上进行潜心的研究和开发。 AI和科学家之间不是竞争关系，更多的是AI为科学家赋能。新药研发是个非常复杂的过程，其中有很多经验和判断没有办法用AI替代。我会建议新药研发企业对AI持开放的态度，并考虑在某些研发环节加入AI赋能。我们看到全球的大药企已经在3年前就大举拥抱AI了。过去3年一共有100多次大药企和AI公司的合作，由此可见一斑。
未完待续......
Appendix：David Rubinsztein教授英文问答原文
Question1:
It had been widely reported by the media that the AlphaFold2 has resolved all of the major issues in the protein-structure-prediction field, which echoes Mohammed AlQuraishi that “I think it’s fair to say this will be very disruptive to the protein-structure-prediction field. I suspect many will leave the field as the core problem has arguably been solved.” But as we understand there are still a fair number of questions remain unanswered, such as the fully automatic protein structure prediction, the conformational changes of proteins in different environments, protein modifications and the structure prediction of polychain protein. Is the resolution of these remaining questions a matter of time for AI, or these questions require fundamentally different approach to be fully untangled?
Answer:
At the outset, please understand that I am not a structural biologist. However, my reading of the literature suggests that the new AI-based strategies like AlphaFold2 represent major advances with huge potential benefits. However, there are important problems that have not really been addressed by such programmes, including understanding the protein folding process. I am not expert enough in either the structural biology or the AI to know whether such problems will yield to AI in the same way. But some are arguably more difficult as the “training data sets” are not accessible in the same way as they have been for structures.
Question 2:
mRNA is hot at present and is particularly popular for vaccines development. The emergence of AI prediction of RNA three-dimensional structures, and the discovery of new RNA delivery platforms, such as SEND discovered by Professor Zhang Feng's team, predict the acceleration of RNA technology development and application? RNA consists of four nucleotide arrangements, and proteins are made up of 20 amino acid arrangements. With AI algorithms, will targets

预测|英国两院院士领衔，中外专家畅谈AI药物发现（上）( 四 )

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