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- ...antitative Estimation of Druglikeness''' ('''QED''') is a metric used in [[cheminformatics]] to quantify the "drug-likeness" of a molecule. [[Druglikeness]] referiss QED is commonly implemented in cheminformatics software, including the open-source toolkit ''[[RDKit]]'', which provides f ...4 KB (525 words) - 14:21, 20 February 2025
- [[Category:Cheminformatics]] ...1 KB (167 words) - 19:05, 11 August 2023
- [[Category:Cheminformatics]] ...2 KB (313 words) - 16:02, 16 January 2024
- [[Category:Cheminformatics]] ...2 KB (331 words) - 20:21, 25 May 2022
- [[Category:Cheminformatics]] ...3 KB (416 words) - 13:58, 29 January 2023
- ...ions]]. The development of such software packages is a research topic of [[cheminformatics]]. Chemical graph generators are used in areas such as virtual [[Chemical l ...onal isomers based on the orderly generation principle |journal=Journal of Cheminformatics |date=December 2021 |volume=13 |issue=1 |pages=48 |doi=10.1186/s13321-021-0 ...28 KB (4,017 words) - 20:09, 26 September 2024
- In [[cheminformatics]], the minimal cycle basis of a [[molecular graph]] is referred to as the ' | journal = [[Journal of Cheminformatics]] ...25 KB (3,617 words) - 23:06, 28 July 2024
- }}</ref> and [[cheminformatics]].<ref>{{cite journal ...13 KB (1,723 words) - 03:20, 8 February 2025
- ...kova|first1=E. L.|last2=Fedorov|first2=M. V.|title=Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecule ...ef>{{cite journal|last1=McDonagh|first1=J. L.| author2 =Nath|title=Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystall ...32 KB (4,787 words) - 19:27, 17 February 2024
- [[Category:Cheminformatics]] ...25 KB (3,662 words) - 19:05, 19 February 2025