Abstract: Methods and systems are disclosed in which an automated or semi-automated laboratory may be combined with a machine learning methodology to enable predicting outcomes of chemical reactions or to predict reaction conditions. The model may be trained on reactions including data from the laboratory, purposefully selected to satisfy a desired goal by a user. The user can interact with the process and the model via dedicated user interfaces designed to enable efficient user-machine interaction. The method can be used in the context of multiple challenging problems in chemistry such as steering an automated chemistry laboratory, synthesizing a large collection of compounds such as DNA encoded library, or recommending high yielding reaction conditions for reactions involving drug-like compounds.

Abstract: A novel liquid crystalline carbonate and the mixture containing the same: wherein R3 is an alkyl (H2n+1Cn) or an alkenyl (H2n?1Cn) group, each of 1 to 12 carbon atoms, the ring A is laterally unsubstituted benzene or pyridine or pyrimidine or trans-substituted cyclohexane ring, symbol r is 0 to 2; the lateral substituents: X2, X3, X4 and X5 in the benzene rings represent independently hydrogen or fluorine or chlorine atoms, X1 is hydrogen or fluorine atom and simultaneously at least one of the substituents: X2, X3 and X4 is fluorine or chlorine atoms, Y is an alkyl or an alkyloxy or an alkenyl or an alkenyloxy group, each of 1 to 12 carbon atoms or hydrogen or fluorine or chlorine atom or NCS group are described.

Abstract: A novel liquid crystalline carbonate and the mixture containing the same: wherein R3 is an alkyl (H2n+1Cn) or an alkenyl (H2n?1Cn) group, each of 1 to 12 carbon atoms, the ring A is laterally unsubstituted benzene or pyridine or pyrimidine or trans-substituted cyclohexane ring, symbol r is 0 to 2; the lateral substituents: X2, X3, X4 and X5 in the benzene rings represent independently hydrogen or fluorine or chlorine atoms, X1 is hydrogen or fluorine atom and simultaneously at least one of the substituents: X2, X3 and X4 is fluorine or chlorine atoms, Y is an alkyl or an alkyloxy or an alkenyl or an aikenyloxy group, each of 1 to 12 carbon atoms or hydrogen or fluorine or chlorine atom or NCS group are described.