Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies

DOI10.1134/S0012500807120026zbMath1224.92068WikidataQ56983041 ScholiaQ56983041MaRDI QIDQ5385633

N. I. Zhokhova, V. A. Palyulin, Nikolai S. Zefirov, I. I. Baskin, A. V. Zefirov

Publication date: 6 May 2008

Published in: Doklady Chemistry (Search for Journal in Brave)

zbMATH Keywords

linear regressionchemical structured forecasting

Mathematics Subject Classification ID

Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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