A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen‑π Interactions by Training Neural Networks per Marc U. Engelhardt (16642483)

Matèries:

Data Sheet 1_Robust control of electrohydraulic soft robots.pdf per Angella Volchko (19309105)

“…The methods presented herein exploit linear system control theory as it applies to a nonlinear soft robotic system. …”

Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds per Alexander V. Artem’ev (9143312)

“…The CuI-derived inorganic–organic hybrid compounds are considered as promising phosphors for the lighting industry. Herein, exploiting N-monoalkylated hexaminium salts, [R-HMTA]­X (R = Me, Et, Pr, and propargyl; X = Cl and I), as multibridging ligands, we have designed and synthesized a unique class of one-dimensional and two-dimensional hybrid CuI-materials. …”

Data_Sheet_3_Novel Computational Approach to Predict Off-Target Interactions for Small Molecules.zip per Mohan S. Rao (6249497)

“…The approach described herein exploits a highly curated training set of >1 million compounds (tracking >20 million compound-structure activity relationship/SAR data points) with known in vitro activities derived from patents, journals, and publicly available databases. …”

Data_Sheet_1_Novel Computational Approach to Predict Off-Target Interactions for Small Molecules.CSV per Mohan S. Rao (6249497)

“…The approach described herein exploits a highly curated training set of >1 million compounds (tracking >20 million compound-structure activity relationship/SAR data points) with known in vitro activities derived from patents, journals, and publicly available databases. …”

Table_1_Novel Computational Approach to Predict Off-Target Interactions for Small Molecules.docx per Mohan S. Rao (6249497)

“…The approach described herein exploits a highly curated training set of >1 million compounds (tracking >20 million compound-structure activity relationship/SAR data points) with known in vitro activities derived from patents, journals, and publicly available databases. …”

Data_Sheet_2_Novel Computational Approach to Predict Off-Target Interactions for Small Molecules.zip per Mohan S. Rao (6249497)

“…The approach described herein exploits a highly curated training set of >1 million compounds (tracking >20 million compound-structure activity relationship/SAR data points) with known in vitro activities derived from patents, journals, and publicly available databases. …”