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ACS Central Science
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January 4, 2018
Computer-Assisted Retrosynthesis Based on Molecular Similarity
Connor W Coley, Luke Rogers, William H Green, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2023
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
Nicholas Casetti, Javier E Alfonso-Ramos, Connor W Coley, et al.
Chemical Science
|
September 15, 2025
Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis
Xiaoqi Sun, Jiannan Liu, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
|
June 23, 2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning
Michael E Fortunato, Connor W Coley, Brian C Barnes, et al.
Journal of the American Chemical Society
|
September 25, 2025
Anomeric Selectivity of Glycosylations through a Machine Learning Lens
Natasha Videcrantz Faurschou, Victor Friis, Priyanka Raghavan, et al.
Journal of Chemical Information and Modeling
|
March 27, 2023
MolScribe: Robust Molecular Structure Recognition with Image-to-Graph Generation
Yujie Qian, Jiang Guo, Zhengkai Tu, et al.
Journal of Chemical Information and Modeling
|
July 1, 2024
OpenChemIE: An Information Extraction Toolkit for Chemistry Literature
Vincent Fan, Yujie Qian, Alex Wang, et al.
Plos One
|
March 18, 2026
Computational design of functional random heteropolymers through atomistic simulations
Tianyi Jin, Collin S Lung, Ting Xu, et al.
Journal of Chemical Information and Modeling
|
December 17, 2020
Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries
Hanyu Gao, Jean Pauphilet, Thomas J Struble, et al.
ACS Central Science
|
December 4, 2025
Seeking Precise Protein-like Functions from Random Heteropolymer Ensemble and through Dimensionality Reduction
Guangqi Wu, Tianyi Jin, Haisen Zhou, et al.
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of 12
Search research articles
Search
Showing results (51-60 of 113) with videos related to
Sort By:
Page
of 12
ACS Central Science
|
January 4, 2018
Computer-Assisted Retrosynthesis Based on Molecular Similarity
Connor W Coley, Luke Rogers, William H Green, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2023
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
Nicholas Casetti, Javier E Alfonso-Ramos, Connor W Coley, et al.
Chemical Science
|
September 15, 2025
Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis
Xiaoqi Sun, Jiannan Liu, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
|
June 23, 2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning
Michael E Fortunato, Connor W Coley, Brian C Barnes, et al.
Journal of the American Chemical Society
|
September 25, 2025
Anomeric Selectivity of Glycosylations through a Machine Learning Lens
Natasha Videcrantz Faurschou, Victor Friis, Priyanka Raghavan, et al.
Journal of Chemical Information and Modeling
|
March 27, 2023
MolScribe: Robust Molecular Structure Recognition with Image-to-Graph Generation
Yujie Qian, Jiang Guo, Zhengkai Tu, et al.
Journal of Chemical Information and Modeling
|
July 1, 2024
OpenChemIE: An Information Extraction Toolkit for Chemistry Literature
Vincent Fan, Yujie Qian, Alex Wang, et al.
Plos One
|
March 18, 2026
Computational design of functional random heteropolymers through atomistic simulations
Tianyi Jin, Collin S Lung, Ting Xu, et al.
Journal of Chemical Information and Modeling
|
December 17, 2020
Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries
Hanyu Gao, Jean Pauphilet, Thomas J Struble, et al.
ACS Central Science
|
December 4, 2025
Seeking Precise Protein-like Functions from Random Heteropolymer Ensemble and through Dimensionality Reduction
Guangqi Wu, Tianyi Jin, Haisen Zhou, et al.
Page
of 12