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Machine learning modelling of chemical reaction characteristics: yesterday, today, tomorrow

Madzhidov T.I., Rakhimbekova A., Afonina V.A., Gimadiev T.R., Mukhametgaleev R.N., Nugmanov R.I., Baskin I.I., Varnek A.

as yield and reaction rate can substantially help in the development of optimal synthetic routes

Predictive Models for Kinetic Parameters of Cycloaddition Reactions

reactions: rate constant (logk), activation energy (Ea) and pre-exponential factor (logA). A data set

Synthesis of spiroindolenines by intramolecular: Ipso -iodocyclization of indol ynones

Fedoseev P., Coppola G., Ojeda G.M., Van Der Eycken E.V.

reaction optimization

Optimization of clinical and pharmacological approaches to the treatment of patients with bronchial asthma

Kubaeva M.B., Ivanov D.A., Zyryanov S.K.

revealed the risks of potentially dangerous drug interactions and adverse drug reactions. The analysis

Optimal tooltip trajectories in a hydrogen abstraction tool recharge reaction sequence for positionally controlled diamond mechanosynthesis

Tarasov D., Akberova N., Izotova E., Alisheva D., Astafiev M., Freitas R.

positionally controlled reaction step. The abstraction tool, once used (HAbstH), must be recharged by removing

Determination of hydroxyl groups in epoxy resins by potentiometric titration using a reaction with maleic anhydride

Evtushenko Yu.M., Zaitsev B.E., Ivanov V.M., Khalturinskii N.A., Evtushenko G.Yu.

the conditions of determination. The optimal reaction conditions were found. The reaction kinetic

Gold-catalyzed diastereoselective domino dearomatization/: Ipso -cyclization/aza-Michael sequence: A facile access to diverse fused azaspiro tetracyclic scaffolds

He Y., Li Z., Tian G., Song L., Van Meervelt L., Van Der Eycken E.V.

reaction optimization

AUTOMATIC SYSTEM FOR PREDICTION OF OPTIMAL CONDITION FOR HYDROGENATION REACTIONS

Afonina V., Lin A., Madzhidov T., Nugmanov R., Antipin I., Klimchuk O., Varnek A.

AUTOMATIC SYSTEM FOR PREDICTION OF OPTIMAL CONDITION FOR HYDROGENATION REACTIONS

The pudovik reaction catalyzed by tertiary phosphines

Salin A., Il'in A., Shamsutdinova F., Fatkhutdinov A., Islamov D., Kataeva O., Galkin V.

the optimized conditions developed, the chemistry was free from side reactions involving competitive phosphine

Polysaccharide-based superporous hydrogel embedded with copper nanoparticles: A green and versatile catalyst for the synthesis of 1,2,3-triazoles

Souza J.F., Costa G.P., Luque R., Alves D., Fajardo A.R.

and phenylacetylene as model substrates under mild optimized conditions (>90% yield). Reuse studies revealed

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