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Journal of Cheminformatics
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May 22, 2024
Generative design of compounds with desired potency from target protein sequences using a multimodal biochemical language model
Hengwei Chen, Jürgen Bajorath
Journal of Cheminformatics
|
June 18, 2024
Stereochemically-aware bioactivity descriptors for uncharacterized chemical compounds
Arnau Comajuncosa-Creus, Aksel Lenes, Miguel Sánchez-Palomino, et al.
Journal of Cheminformatics
|
May 30, 2024
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
July 25, 2024
CACTI: an in silico chemical analysis tool through the integration of chemogenomic data and clustering analysis
Karla P Godinez-Macias, Elizabeth A Winzeler
Journal of Cheminformatics
|
October 21, 2023
Art driven by visual representations of chemical space
Daniela Gaytán-Hernández, Ana L Chávez-Hernández, Edgar López-López, et al.
Journal of Cheminformatics
|
September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
Christopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
Journal of Cheminformatics
|
September 19, 2023
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
Thomas E Hadfield, Jack Scantlebury, Charlotte M Deane
Journal of Cheminformatics
|
September 19, 2023
School of cheminformatics in Latin America
Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, et al.
Journal of Cheminformatics
|
September 26, 2023
A molecule perturbation software library and its application to study the effects of molecular design constraints
Alan Kerstjens, Hans De Winter
Journal of Cheminformatics
|
February 2, 2019
The nature of ligand efficiency
Peter W Kenny
Page
of 137
Search research articles
Search
Showing results (871-880 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
May 22, 2024
Generative design of compounds with desired potency from target protein sequences using a multimodal biochemical language model
Hengwei Chen, Jürgen Bajorath
Journal of Cheminformatics
|
June 18, 2024
Stereochemically-aware bioactivity descriptors for uncharacterized chemical compounds
Arnau Comajuncosa-Creus, Aksel Lenes, Miguel Sánchez-Palomino, et al.
Journal of Cheminformatics
|
May 30, 2024
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design
Morgan Thomas, Noel M O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics
|
July 25, 2024
CACTI: an in silico chemical analysis tool through the integration of chemogenomic data and clustering analysis
Karla P Godinez-Macias, Elizabeth A Winzeler
Journal of Cheminformatics
|
October 21, 2023
Art driven by visual representations of chemical space
Daniela Gaytán-Hernández, Ana L Chávez-Hernández, Edgar López-López, et al.
Journal of Cheminformatics
|
September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
Christopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
Journal of Cheminformatics
|
September 19, 2023
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
Thomas E Hadfield, Jack Scantlebury, Charlotte M Deane
Journal of Cheminformatics
|
September 19, 2023
School of cheminformatics in Latin America
Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, et al.
Journal of Cheminformatics
|
September 26, 2023
A molecule perturbation software library and its application to study the effects of molecular design constraints
Alan Kerstjens, Hans De Winter
Journal of Cheminformatics
|
February 2, 2019
The nature of ligand efficiency
Peter W Kenny
Page
of 137