Network search algorithms and scoring functions for advanced‐level computerized synthesis planning
BA Grzybowski, T Badowski, K Molga… - Wiley Interdisciplinary …, 2023 - Wiley Online Library
Abstract In 2020, a “hybrid” expert‐AI computer program called Chematica (aka Synthia)
was shown to autonomously plan multistep syntheses of complex natural products, which …
was shown to autonomously plan multistep syntheses of complex natural products, which …
Artificial Intelligence Methods and Models for Retro-Biosynthesis: A Scoping Review
Retrosynthesis aims to efficiently plan the synthesis of desirable chemicals by strategically
breaking down molecules into readily available building block compounds. Having a long …
breaking down molecules into readily available building block compounds. Having a long …
Site-specific template generative approach for retrosynthetic planning
Retrosynthesis, the strategy of devising laboratory pathways by working backwards from the
target compound, is crucial yet challenging. Enhancing retrosynthetic efficiency requires …
target compound, is crucial yet challenging. Enhancing retrosynthetic efficiency requires …
Finding relevant retrosynthetic disconnections for stereocontrolled reactions
Machine learning-driven computer-aided synthesis planning (CASP) tools have become
important tools for idea generation in the design of complex molecule synthesis but do not …
important tools for idea generation in the design of complex molecule synthesis but do not …
Total Synthesis of 2-Isocyanoallopupukeanane: Construction of Caged Skeleton by Intramolecular Alkylation of Bromonitriles
K Kato, K Ikeuchi, T Suzuki, K Tanino - Organic Letters, 2022 - ACS Publications
A new method for constructing the bicyclo [3.2. 1] octane skeleton was developed by the
intramolecular alkylation of a nitrile-side-chain-containing cyclohexanone derivative. The …
intramolecular alkylation of a nitrile-side-chain-containing cyclohexanone derivative. The …
Marine natural products
Covering: January to the end of December 2022This review covers the literature published
in 2022 for marine natural products (MNPs), with 645 citations (633 for the period January to …
in 2022 for marine natural products (MNPs), with 645 citations (633 for the period January to …
La revolución quimioinformática: enseñándole química a los robots
JR Montero-Bastidas - Revista de Química, 2024 - revistas.pucp.edu.pe
En este artículo se describen los avances más recientes en la automatización de la química
orgánica con un enfoque en la química medicinal. Diferentes plataformas han permitido la …
orgánica con un enfoque en la química medicinal. Diferentes plataformas han permitido la …