Cargando…
The SAR Matrix Method and an Artificially Intelligent Variant for the Identification and Structural Organization of Analog Series, SAR Analysis, and Compound Design
The SAR Matrix (SARM) approach was originally conceived for the systematic identification of analog series, their structural organization, and graphical structure‐activity relationship (SAR) analysis. For structurally related series, SARMs also produce virtual candidate compounds. Hence, SARM repres...
Autores principales: | Yoshimori, Atsushi, Bajorath, Jürgen |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7816269/ https://www.ncbi.nlm.nih.gov/pubmed/32271994 http://dx.doi.org/10.1002/minf.202000045 |
Ejemplares similares
-
Prediction of an MMP-1 inhibitor activity cliff using the SAR matrix approach and its experimental validation
por: Asawa, Yasunobu, et al.
Publicado: (2020) -
Design of MMP-1 inhibitors via SAR transfer and experimental validation
por: Umedera, Kohei, et al.
Publicado: (2022) -
Impact of Artificial Intelligence on Compound Discovery,
Design, and Synthesis
por: Miljković, Filip, et al.
Publicado: (2021) -
Collection of analog series-based scaffolds from public compound sources
por: Dimova, Dilyana, et al.
Publicado: (2018) -
Follow-up: Prospective compound design using the ‘SAR Matrix’ method and matrix-derived conditional probabilities of activity
por: Gupta-Ostermann, Disha, et al.
Publicado: (2015)