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Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling
Nasir, Sumiya, ul Hassan Awan, Nadeem, Farooq, Fozia Bashir, Parveen, Saima
Published in AIMS mathematics (01.01.2022)
Published in AIMS mathematics (01.01.2022)
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Journal Article
Combined Machine Learning, Computational, and Experimental Analysis of the Iridium(III) Complexes with Red to Near-Infrared Emission
Karuth, Anas, Casanola-Martin, Gerardo M., Lystrom, Levi, Sun, Wenfang, Kilin, Dmitri, Kilina, Svetlana, Rasulev, Bakhtiyor
Published in The journal of physical chemistry letters (18.01.2024)
Published in The journal of physical chemistry letters (18.01.2024)
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Journal Article
QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure
Papa, Ester, Gramatica, Paola
Published in Green chemistry : an international journal and green chemistry resource : GC (01.01.2010)
Published in Green chemistry : an international journal and green chemistry resource : GC (01.01.2010)
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Journal Article
QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structureElectronic supplementary information (ESI) available: Table S1 reports the list of the 250 chemicals investigated, the experimental and predicted values of the studied endpoints, the values of the molecular descriptors selected for the proposed QSAR Model, information on the structural Applicability Domain, and the results of the PBT screening by U.S EP
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Journal Article