• Home
• simplicity 1698
• Chemical complexity challenge: Is multi‐instance machine learning a solution? - Zankov - 2024 - WIREs Computational Molecular Science - Wiley Online Library

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

4.7 (419) · $ 11.00 · In stock

Machine learning for chemical discovery

Timur Madzhidov on LinkedIn: Chemical complexity challenge: Is multi‐instance machine learning a…

Frontiers Machine learning in toxicological sciences: opportunities for assessing drug toxicity

Large-scale chemical language representations capture molecular structure and properties

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

Machine Learning in Chemical Engineering: Strengths, Weaknesses, Opportunities, and Threats - ScienceDirect

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning

Computer-aided design of molecular machines: techniques, paradigms and difficulties - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP04942A

Machine learning used to predict synthesis of complex novel materials - International Institute for Nanotechnology

Chemical reaction networks and opportunities for machine learning

Frontiers Paradigm Shift: The Promise of Deep Learning in

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

Applied Sciences Special Issue : Latest Advances in Computational Chemistry and Molecular Docking for Biological Macromolecules