Yield of pyrroles and dipyrromethanes condensation reactions with aldehydes – Chem-predictor

Предсказание выходов реакций конденсации пирролов и дипиррометанов с альдегидами

How to enter the reaction A + B = AB using SMILES: SMILES(A).SMILES(B)>>SMILES(AB)

If you are using the model in your research, please cite:

Dmitry M. Makarov, Michail M. Lukanov, Aleksey I. Rusanov, Nugzar Zh. Mamardashvili, Alexander A. Ksenofontov (2023). Machine learning approach for predicting the yield of pyrroles and dipyrromethanes condensation reactions with aldehydes. Journal of Computational Science, 102173.