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Digital Discovery
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September 12, 2022
Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design
AkshatKumar Nigam, Robert Pollice, Alán Aspuru-Guzik
Chemical Reviews
|
June 9, 2025
Studying Noncovalent Interactions in Molecular Systems with Machine Learning
Serhii Tretiakov, AkshatKumar Nigam, Robert Pollice
Chemical Science
|
February 16, 2024
Artificial design of organic emitters <i>via</i> a genetic algorithm enhanced by a deep neural network
AkshatKumar Nigam, Robert Pollice, Pascal Friederich, et al.
Chemical Science
|
June 14, 2021
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AkshatKumar Nigam, Robert Pollice, Mario Krenn, et al.
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
Biorxiv : the Preprint Server for Biology
|
June 9, 2023
SLC12A9 is a lysosome-detoxifying ammonium - chloride co-transporter
Roni Levin-Konigsberg, Koushambi Mitra, AkshatKumar Nigam, et al.
Expert Opinion on Drug Discovery
|
June 15, 2021
Assigning confidence to molecular property prediction
AkshatKumar Nigam, Robert Pollice, Matthew F D Hurley, et al.
Accounts of Chemical Research
|
February 2, 2021
Data-Driven Strategies for Accelerated Materials Design
Robert Pollice, Gabriel Dos Passos Gomes, Matteo Aldeghi, et al.
Biorxiv : the Preprint Server for Biology
|
October 10, 2024
Prediction and design of transcriptional repressor domains with large-scale mutational scans and deep learning
Raeline Valbuena, AkshatKumar Nigam, Josh Tycko, et al.
Journal of the American Chemical Society
|
January 12, 2022
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Tobias Gensch, Gabriel Dos Passos Gomes, Pascal Friederich, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Digital Discovery
|
September 12, 2022
Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design
AkshatKumar Nigam, Robert Pollice, Alán Aspuru-Guzik
Chemical Reviews
|
June 9, 2025
Studying Noncovalent Interactions in Molecular Systems with Machine Learning
Serhii Tretiakov, AkshatKumar Nigam, Robert Pollice
Chemical Science
|
February 16, 2024
Artificial design of organic emitters <i>via</i> a genetic algorithm enhanced by a deep neural network
AkshatKumar Nigam, Robert Pollice, Pascal Friederich, et al.
Chemical Science
|
June 14, 2021
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AkshatKumar Nigam, Robert Pollice, Mario Krenn, et al.
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
Biorxiv : the Preprint Server for Biology
|
June 9, 2023
SLC12A9 is a lysosome-detoxifying ammonium - chloride co-transporter
Roni Levin-Konigsberg, Koushambi Mitra, AkshatKumar Nigam, et al.
Expert Opinion on Drug Discovery
|
June 15, 2021
Assigning confidence to molecular property prediction
AkshatKumar Nigam, Robert Pollice, Matthew F D Hurley, et al.
Accounts of Chemical Research
|
February 2, 2021
Data-Driven Strategies for Accelerated Materials Design
Robert Pollice, Gabriel Dos Passos Gomes, Matteo Aldeghi, et al.
Biorxiv : the Preprint Server for Biology
|
October 10, 2024
Prediction and design of transcriptional repressor domains with large-scale mutational scans and deep learning
Raeline Valbuena, AkshatKumar Nigam, Josh Tycko, et al.
Journal of the American Chemical Society
|
January 12, 2022
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Tobias Gensch, Gabriel Dos Passos Gomes, Pascal Friederich, et al.
Page
of 2