We present {four|4} tree-based machine {learning|studying|understanding|finding out|mastering} models for protein pKa prediction. The {four|4} models, Random Forest, {Extra|Additional|Added|Further} Trees, {extreme|intense} Gradient Boosting (XGBoost) and Light Gradient Boosting Machine (LightGBM), {were|had…
The union of two {powerful|potent|effective|strong|highly effective} transformations, directed C–H activation and decarboxylative cross-coupling, for theenantioselective synthesis of vicinally functionalized alkyl, carbocyclic, and heterocyclic compounds is described. {Starting|Beginning} fromsimple carboxylic acid…
Herein, we report an iridium-catalyzed directed C−H amination methodology {developed|created} {using|utilizing|making use of|employing|working with|applying} a high-throughput experimentation (HTE)-based {strategy|technique|method|approach|tactic}, applicable for the {needs|requirements|wants|demands|desires|requires} of automated {modern|contemporary|modern day} drug discovery. The…
Modelling intermolecular noncovalent interactions {between|in between|among|amongst|involving} {large|big|huge|massive|substantial|significant} molecules remains a challenge for electron structure theory {community|neighborhood}. {This is|This really is|This can be|That is} {due to|because of|as a result of|on account…
Electrochemical impedance spectroscopy (EIS) {is a|is really a|is actually a|can be a|is often a|is usually a} tool {widely|extensively|broadly} {used|utilized|employed|utilised|applied|made use of} to study the properties of electrochemical systems. The distribution…