Editing Quantitative structure–activity relationship (section)

=== String based ===
It has been shown that activity prediction is even possible based purely on the [[Simplified Molecular Input Line Entry Specification|SMILES]] string.<ref>{{cite arXiv |last1=Jastrzębski |first1=Stanisław |last2=Leśniak |first2=Damian |last3=Czarnecki |first3=Wojciech Marian |title=Learning to SMILE(S)  |date=8 March 2018 |class=cs.CL |eprint=1602.06289}}</ref><ref>{{cite arXiv |last1=Bjerrum |first1=Esben Jannik |title=SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules  |date=17 May 2017 |class=cs.LG |eprint=1703.07076}}</ref><ref>{{cite journal |last1=Mayr |first1=Andreas |last2=Klambauer |first2=Günter |last3=Unterthiner |first3=Thomas |last4=Steijaert |first4=Marvin |last5=Wegner |first5=Jörg K. |last6=Ceulemans |first6=Hugo |last7=Clevert |first7=Djork-Arné |last8=Hochreiter |first8=Sepp |title=Large-scale comparison of machine learning methods for drug target prediction on ChEMBL |journal=Chemical Science |date=20 June 2018 |volume=9 |issue=24 |pages=5441–5451 |doi=10.1039/c8sc00148k|pmid=30155234 |pmc=6011237 }}</ref>