Connor W. Coley
Massachusetts Institute of Technology
H-index: 44
North America-United States
Top articles of Connor W. Coley
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Prefix-tree decoding for predicting mass spectra from molecules | Advances in Neural Information Processing Systems | Samuel Goldman John Bradshaw Jiayi Xin Connor Coley | 2024/2/13 |
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset | arXiv preprint arXiv:2403.04580 | Joonyoung F Joung Mun Hong Fong Jihye Roh Zhengkai Tu John Bradshaw | 2024/3/7 |
Effective Protein-Protein Interaction Exploration with PPIretrieval | arXiv preprint arXiv:2402.03675 | Chenqing Hua Connor Coley Guy Wolf Doina Precup Shuangjia Zheng | 2024/2/6 |
Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels–Alder Reaction Outcomes | Angus Keto Taicheng Guo Morgan Underdue Thijs Stuyver Connor Coley | 2024/3/6 | |
DNA-encoded library-enabled discovery of proximity-inducing small molecules | Nature Chemical Biology | Jeremy W Mason Yuen Ting Chow Liam Hudson Antonin Tutter Gregory Michaud | 2024/2 |
Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines | Brittany Haas Melissa Hardy Shree Sowndarya SV Keir Adams Connor Coley | 2024/2/23 | |
Automation of air-free synthesis | Babak A Mahjour Connor W Coley | 2024/4/11 | |
A physics-inspired approach to the understanding of molecular representations and models | Molecular Systems Design & Engineering | Luke Dicks David E Graff Kirk E Jordan Connor W Coley Edward O Pyzer-Knapp | 2024 |
Substrate Scope Contrastive Learning: Repurposing Human Bias to Learn Atomic Representations | arXiv preprint arXiv:2402.16882 | Wenhao Gao Priyanka Raghavan Ron Shprints Connor W Coley | 2024/2/19 |
Extracting Structured Data from Organic Synthesis Procedures Using a Fine-Tuned Large Language Model | Qianxiang Ai Fanwang Meng Jiale Shi Brenden Pelkie Connor W Coley | 2024/4/8 | |
Pareto optimization to accelerate multi-objective virtual screening | Digital Discovery | Jenna C Fromer David E Graff Connor W Coley | 2024 |
Generating molecular fragmentation graphs with autoregressive neural networks | Analytical Chemistry | Samuel Goldman Janet Li Connor W Coley | 2024/2/13 |
Closing the Execution Gap in Generative AI for Chemicals and Materials: Freeways or Safeguards | An MIT Exploration of Generative AI, https://doi.org/10.21428/e4baedd9.92e511e3 | Akshay Subramanian Wenhao Gao Regina Barzilay Jeffrey C. Grossman Tommi Jaakkola | 2024/3/27 |
Sequence-(in) dependence protein-mimetic polymer | APS March Meeting Abstracts | Tianyi Jin Connor Coley Alfredo Alexander-Katz | 2023 |
Compositions, formulations, and methods for hair treatment | 2023/4/20 | ||
A high-throughput platform for efficient exploration of functional polypeptide chemical space | Nature Synthesis | Guangqi Wu Haisen Zhou Jun Zhang Zi-You Tian Xingyi Liu | 2023/6 |
QMugs 1.1: Quantum mechanical properties of organic compounds commonly encountered in reactivity datasets | Chemical Data Collections | Rebecca M Neeser Clemens Isert Thijs Stuyver Gisbert Schneider Connor W Coley | 2023/8/1 |
Publisher Correction: Scientific discovery in the age of artificial intelligence | Nature | Hanchen Wang Tianfan Fu Yuanqi Du Wenhao Gao Kexin Huang | 2023/9 |
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery | Chemistry–A European Journal | Nicholas Casetti Javier E Alfonso‐Ramos Connor W Coley Thijs Stuyver | 2023/10/26 |
Predictive Chemistry Augmented with Text Retrieval | Yujie Qian Zhening Li Zhengkai Tu Connor W Coley Regina Barzilay | 2023/12/8 |
Co-Authors
