Search research articles
Contact Us
Filters
Showing results (191-200 of 1,439) with videos related to
Page
of 144
Sort By:
Journal of Cheminformatics
|
October 22, 2022
A fingerprints based molecular property prediction method using the BERT model
Naifeng Wen, Guanqun Liu, Jie Zhang, et al.
Journal of Cheminformatics
|
September 22, 2022
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts
Yasemin Yesiltepe, Niranjan Govind, Thomas O Metz, et al.
Journal of Cheminformatics
|
September 19, 2022
What makes a reaction network "chemical"?
Stefan Müller, Christoph Flamm, Peter F Stadler
Journal of Cheminformatics
|
October 3, 2022
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
August 25, 2022
FPocketWeb: protein pocket hunting in a web browser
Yuri Kochnev, Jacob D Durrant
Journal of Cheminformatics
|
September 1, 2022
Robustness under parameter and problem domain alterations of Bayesian optimization methods for chemical reactions
Rubaiyat Mohammad Khondaker, Stephen Gow, Samantha Kanza, et al.
Journal of Cheminformatics
|
October 3, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization
Jules Leguy, Marta Glavatskikh, Thomas Cauchy, et al.
Journal of Cheminformatics
|
October 5, 2021
Automated fragment formula annotation for electron ionisation, high resolution mass spectrometry: application to atmospheric measurements of halocarbons
Myriam Guillevic, Aurore Guillevic, Martin K Vollmer, et al.
Journal of Cheminformatics
|
April 26, 2022
Diversifying cheminformatics
Barbara Zdrazil, Rajarshi Guha
Journal of Cheminformatics
|
August 31, 2018
The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility
Richard L Marchese Robinson, Kevin J Roberts, Elaine B Martin
Page
of 144
Search research articles
Search
Showing results (191-200 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
October 22, 2022
A fingerprints based molecular property prediction method using the BERT model
Naifeng Wen, Guanqun Liu, Jie Zhang, et al.
Journal of Cheminformatics
|
September 22, 2022
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts
Yasemin Yesiltepe, Niranjan Govind, Thomas O Metz, et al.
Journal of Cheminformatics
|
September 19, 2022
What makes a reaction network "chemical"?
Stefan Müller, Christoph Flamm, Peter F Stadler
Journal of Cheminformatics
|
October 3, 2022
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
August 25, 2022
FPocketWeb: protein pocket hunting in a web browser
Yuri Kochnev, Jacob D Durrant
Journal of Cheminformatics
|
September 1, 2022
Robustness under parameter and problem domain alterations of Bayesian optimization methods for chemical reactions
Rubaiyat Mohammad Khondaker, Stephen Gow, Samantha Kanza, et al.
Journal of Cheminformatics
|
October 3, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization
Jules Leguy, Marta Glavatskikh, Thomas Cauchy, et al.
Journal of Cheminformatics
|
October 5, 2021
Automated fragment formula annotation for electron ionisation, high resolution mass spectrometry: application to atmospheric measurements of halocarbons
Myriam Guillevic, Aurore Guillevic, Martin K Vollmer, et al.
Journal of Cheminformatics
|
April 26, 2022
Diversifying cheminformatics
Barbara Zdrazil, Rajarshi Guha
Journal of Cheminformatics
|
August 31, 2018
The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility
Richard L Marchese Robinson, Kevin J Roberts, Elaine B Martin
Page
of 144