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Connor W. Coley

RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing

May 19, 2023
Yujie Qian, Jiang Guo, Zhengkai Tu, Connor W. Coley, Regina Barzilay

* To be published in the Journal of Chemical Information and Modeling

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De novo PROTAC design using graph-based deep generative models

Nov 04, 2022
Divya Nori, Connor W. Coley, Rocío Mercado

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* Presented at NeurIPS 2022 AI4Science Workshop

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Computer-Aided Multi-Objective Optimization in Small Molecule Discovery

Oct 13, 2022
Jenna C. Fromer, Connor W. Coley

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Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design

Oct 06, 2022
Keir Adams, Connor W. Coley

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Robust Molecular Image Recognition: A Graph Generation Approach

May 28, 2022
Yujie Qian, Zhengkai Tu, Jiang Guo, Connor W. Coley, Regina Barzilay

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* 16 pages, 8 figures

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A graph representation of molecular ensembles for polymer property prediction

May 17, 2022
Matteo Aldeghi, Connor W. Coley

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* 17 pages, 5 figures, 1 table (SI with 12 pages, 3 figures, 2 tables)

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Self-focusing virtual screening with active design space pruning

May 03, 2022
David E. Graff, Matteo Aldeghi, Joseph A. Morrone, Kirk E. Jordan, Edward O. Pyzer-Knapp, Connor W. Coley

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* 47 pages, 26 figures, 3 tables

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