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Machine Learning in Chemistry (@ML_Chem) / X
Frontiers Machine learning in toxicological sciences: opportunities for assessing drug toxicity
Chemical complexity challenge: Is multi-instance machine learning a solution ?
Frontiers Machine learning in toxicological sciences: opportunities for assessing drug toxicity
Inverse design of 3d molecular structures with conditional generative neural networks
Machine learning directed multi-objective optimization of mixed variable chemical systems - ScienceDirect
Large-scale chemical language representations capture molecular
Machine learning used to predict synthesis of complex novel materials - International Institute for Nanotechnology
Unifying machine learning and quantum chemistry with a deep neural
Machine learning for chemical discovery
Machine learning for chemical discovery
A deep-learning system bridging molecule structure and biomedical text with comprehension comparable to human professionals
Machine learning directed multi-objective optimization of mixed variable chemical systems - ScienceDirect
Computer-aided design of molecular machines: techniques, paradigms and difficulties - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP04942A
Chemical complexity challenge: Is multi-instance machine learning a solution ?
