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Prediction of Activity Cliffs Using Condensed Graphs of Rea..:
Horvath, Dragos
;
Marcou, Gilles
;
Varnek, Alexandre
...
Journal of Chemical Information and Modeling. 56 (2016) 9 - p. 1631-1640 , 2016
Link:
https://doi.org/10.1021/acs.jcim.6b00359
RT Journal T1 <Title>Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.6b00359&Exemplar=1&LAN=DE A1 Horvath, Dragos A1 Marcou, Gilles A1 Varnek, Alexandre A1 Kayastha, Shilva A1 de la Vega de León, Antonio A1 Bajorath, Jürgen PB American Chemical Society (ACS) YR 2016 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 56 IS 9 SP 1631 OP 1640 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.6b00359 DO https://doi.org/10.1021/acs.jcim.6b00359 SF ELIB - SuUB Bremen
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