Chemical complexity challenge: Is multi‐instance machine learning a solution? - Zankov - 2024 - WIREs Computational Molecular Science - Wiley Online Library

$ 20.50

4.5 (666) In stock

Machine Learning in Chemistry (@ML_Chem) / X

Chemical complexity challenge: Is multi-instance machine learning a solution ?

Extending machine learning beyond interatomic potentials for predicting molecular properties

Frontiers Paradigm Shift: The Promise of Deep Learning in Molecular Systems Engineering and Design

A deep-learning system bridging molecule structure and biomedical text with comprehension comparable to human professionals

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

Machine learning based energy-free structure predictions of molecules, transition states, and solids

Frontiers Unifying complexity science and machine learning

Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework

Machine Learning in Chemistry (@ML_Chem) / X

The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry, Theoretical and Computational Chemistry, ChemRxiv

Machine learning directed multi-objective optimization of mixed variable chemical systems - ScienceDirect