The guanine incropped Cu based metal-organic framework (Guanine-Cu-MOF) was synthesized by facile one-step sonochemical method by simply mixing of 4-4, biphenyldicarboxylic, guanine and copper nitrate (Bio-Cu-Hbpdc-Gu). The prepared guanine-MOF was c...
European journal of medicinal chemistry
Dec 27, 2016
In our previous research, 9-bromo indolizinoquinoline-5,12-dione 1 has been found to be a good anti-MRSA agent. However, it had very low bioavailability in vivo possibly due to its low solubility in water. In order to obtain the derivatives with high...
Journal of chemical information and modeling
Mar 28, 2022
There is significant interest and importance to develop robust machine learning models to assist organic chemistry synthesis. Typically, task-specific machine learning models for distinct reaction prediction tasks have been developed. In this work, w...
Journal of chemical information and modeling
Sep 27, 2021
Computation is increasingly being used to try to accelerate the discovery of new materials. One specific example of this is porous molecular materials, specifically porous organic cages, where the porosity of the materials predominantly comes from th...
Autonomous experimentation driven by artificial intelligence (AI) provides an exciting opportunity to revolutionize inorganic materials discovery and development. Herein, we review recent progress in the design of self-driving laboratories, including...
Drug designing and development is an important area of research for pharmaceutical companies and chemical scientists. However, low efficacy, off-target delivery, time consumption, and high cost impose a hurdle and challenges that impact drug design a...
Training algorithms to computationally plan multistep organic syntheses has been a challenge for more than 50 years. However, the field has progressed greatly since the development of early programs such as LHASA, for which reaction choices at each s...
Organic synthesis methodology enables the synthesis of complex molecules and materials used in all fields of science and technology and represents a vast body of accumulated knowledge optimally suited for deep learning. While most organic reactions i...
Ring systems in pharmaceuticals, agrochemicals, and dyes are ubiquitous chemical motifs. While the synthesis of common ring systems is well described and novel ring systems can be readily and computationally enumerated, the synthetic accessibility of...