Natural language processing models that automate programming will transform chemistry research and teaching [0.03%]
自动编程的自然语言处理模型将变革化学研究和教学方式
Glen M Hocky,Andrew D White
Glen M Hocky
Natural language processing models have emerged that can generate useable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing de...
ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold [0.03%]
ChemSpaX：通过分子支架的自动化官能团化进行化学空间探索
Adarsh V Kalikadien,Evgeny A Pidko,Vivek Sinha
Adarsh V Kalikadien
Exploration of the local chemical space of molecular scaffolds by post-functionalization (PF) is a promising route to discover novel molecules with desired structure and function. PF with rationally chosen substituents based on known electr...
Drug addiction remains a complex global public health challenge, with traditional anti-addiction drug discovery hindered by limited efficacy and slow progress in targeting intricate neurochemical systems. Advanced algorithms within artifici...