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Journal of Computer-Aided Molecular Design
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October 8, 2017
From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets
Shilva Kayastha, Ryo Kunimoto, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library Space
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
August 14, 2019
Diversifying chemical libraries with generative topographic mapping
Arkadii Lin, Bernd Beck, Dragos Horvath, et al.
Molecules (Basel, Switzerland)
|
May 22, 2015
S4MPLE--Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking
Laurent Hoffer, Camelia Chira, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
November 28, 2006
Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes
Fanny Bonachéra, Benjamin Parent, Frédérique Barbosa, et al.
Bioorganic & Medicinal Chemistry
|
May 19, 2012
Using self-organizing maps to accelerate similarity search
Fanny Bonachera, Gilles Marcou, Natalia Kireeva, et al.
Journal of Computer-Aided Molecular Design
|
November 14, 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds
Pavel Sidorov, Helena Gaspar, Gilles Marcou, et al.
Molecular Informatics
|
February 22, 2024
Predicting S. aureus antimicrobial resistance with interpretable genomic space maps
Karina Pikalyova, Alexey Orlov, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2011
Local neighborhood behavior in a combinatorial library context
Dragos Horvath, Christian Koch, Gisbert Schneider, et al.
Page
of 11
Search research articles
Search
Showing results (21-30 of 108) with videos related to
Sort By:
Page
of 11
Journal of Computer-Aided Molecular Design
|
October 8, 2017
From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets
Shilva Kayastha, Ryo Kunimoto, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library Space
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
August 14, 2019
Diversifying chemical libraries with generative topographic mapping
Arkadii Lin, Bernd Beck, Dragos Horvath, et al.
Molecules (Basel, Switzerland)
|
May 22, 2015
S4MPLE--Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking
Laurent Hoffer, Camelia Chira, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
November 28, 2006
Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes
Fanny Bonachéra, Benjamin Parent, Frédérique Barbosa, et al.
Bioorganic & Medicinal Chemistry
|
May 19, 2012
Using self-organizing maps to accelerate similarity search
Fanny Bonachera, Gilles Marcou, Natalia Kireeva, et al.
Journal of Computer-Aided Molecular Design
|
November 14, 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds
Pavel Sidorov, Helena Gaspar, Gilles Marcou, et al.
Molecular Informatics
|
February 22, 2024
Predicting S. aureus antimicrobial resistance with interpretable genomic space maps
Karina Pikalyova, Alexey Orlov, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2011
Local neighborhood behavior in a combinatorial library context
Dragos Horvath, Christian Koch, Gisbert Schneider, et al.
Page
of 11