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Proceedings of the National Academy of Sciences of the United States of America|October 6, 2025
Generative AI for navigating synthesizable chemical spaceWenhao Gao, Shitong Luo, Connor W ColeyJournal of Chemical Information and Modeling|April 7, 2020
The Synthesizability of Molecules Proposed by Generative ModelsWenhao Gao, Connor W ColeyJournal of the American Chemical Society|March 2, 2025
Revealing the Relationship between Publication Bias and Chemical Reactivity with Contrastive LearningWenhao Gao, Priyanka Raghavan, Ron Shprints, et al.Nano Letters|March 25, 2026
Polymerized Short Sequences as a Template for Protein Folding and EvolutionTianyi Jin, Jacob I Sass, Wenhao Gao, et al.Chemical Science|August 3, 2022
A focus on simulation and machine learning as complementary tools for chemical space navigationMatteo Aldeghi, Connor W ColeyChemical Science|October 24, 2022
A graph representation of molecular ensembles for polymer property predictionMatteo Aldeghi, Connor W ColeyJournal of Chemical Information and Modeling|July 26, 2022
Permutation Invariant Graph-to-Sequence Model for Template-Free Retrosynthesis and Reaction PredictionZhengkai Tu, Connor W ColeyThe Journal of Chemical Physics|March 2, 2022
Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainabilityThijs Stuyver, Connor W ColeyChemistry (Weinheim an Der Bergstrasse, Germany)|February 14, 2023
Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click PotentialThijs Stuyver, Connor W ColeyPatterns (New York, N.Y.)|March 6, 2023
Computer-aided multi-objective optimization in small molecule discoveryJenna C Fromer, Connor W ColeyPageof 16