Where thousands of chemistry professionals meet to share ideas and advance scientific and technical knowledge. Spring 2023 abstracts, posters, and presentations will launch at the end of March.

ACS Spring 2023

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

American Chemical Society

Machine Learning in Chemistry

Molecule generation under the constraint of synthesizability

Tuning reinforcement learning parameters for cluster selection to enhance evolutionary algorithms

Machine-learning assisted precision synthesis of nanomaterials

Machine learning for computational organic and medicinal chemistry

Drugan: A deep convolutional generative adversarial networks (DCGAN) for drug target-specific compound library construction

Ultra fast generation of only valid molecules <i>with </i>training-set distribution matching

Inverse generation of molecules towards biased properties via a deep generative model and transfer learning

<i>De novo</i> design of protein target specific scaffold-based inhibitors via reinforcement learning

DeepFrag: Deep learning applied to structure-based lead optimization

Machine Learning in Chemistry

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Molecule generation under the constraint of synthesizability