A Mahmood, JL Wang - Journal of Materials Chemistry A, 2021 - pubs.rsc.org
The power conversion efficiency (PCE) of organic solar cells (OSCs) is increasing continuously, however, commercialization is far from being achieved due to the very high …
H Moriwaki, YS Tian, N Kawashita, T Takagi - Journal of cheminformatics, 2018 - Springer
Molecular descriptors are widely employed to present molecular characteristics in cheminformatics. Various molecular-descriptor-calculation software programs have been …
In the process of finding high-performance materials for organic photovoltaics (OPVs), it is meaningful if one can establish the relationship between chemical structures and …
M Wen, Z Zhang, S Niu, H Sha, R Yang… - Journal of proteome …, 2017 - ACS Publications
Identifying interactions between known drugs and targets is a major challenge in drug repositioning. In silico prediction of drug–target interaction (DTI) can speed up the expensive …
Abstract Background The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts along with …