The document discusses retrosynthetic analysis, a technique used in organic synthesis planning. It involves deconstructing a target molecule into simpler precursor structures by applying the reverse of known reactions. This is done iteratively until commercially available starting materials are reached. Key points discussed include:
- Identifying functional groups and reactive sites ("retrons") that suggest disconnection points
- Applying topological and transform-based strategies to simplify the target structure
- Generating a retrosynthetic tree showing possible routes from precursors to the target
- Choosing disconnections that make the precursors easier to synthesize than the target
ARChem Route Designer is a new retrosynthetic analysis package (1) that generates complete synthetic routes for target molecules from readily available starting materials. Rule generation from reaction databases is fully automated to insure that the system can keep abreast with the latest reaction literature and available starting materials. After these rules are used to carry out an exhaustive retrosynthetic analysis of the target molecules, special heuristics are used to mitigate a combinatorial explosion.
Proposed routes are then prioritized by a merit ranking algorithm to present to the viewer the most diverse solution profile. Users then have the option to view the details of the overall reaction tree and to scroll through the reaction details. The program runs on a server with a web-based user interface. An overview of some of the challenges, solutions, and examples that illustrate ARChem's utility will be discussed.
Hokkaido University (HU) - Seoul National University (SNU) Joint Symposium
2018 International Workshop on
New Frontiers in Convergence Science and Technology
Several approaches are proposed to solve global numerical optimization problems. Most of researchers have experimented the robustness of their algorithms by generating the result based on minimization aspect. In this paper, we focus on maximization problems by using several hybrid chemical reaction optimization algorithms including orthogonal chemical reaction optimization (OCRO), hybrid algorithm based on particle swarm and chemical reaction optimization (HP-CRO), real-coded chemical reaction optimization (RCCRO) and hybrid mutation chemical reaction optimization algorithm (MCRO), which showed success in minimization. The aim of this paper is to demonstrate that the approaches inspired by chemical reaction optimization are not only limited to minimization, but also are suitable for maximization. Moreover, experiment comparison related to other maximization algorithms is presented and discussed.
ARChem Route Designer is a new retrosynthetic analysis package (1) that generates complete synthetic routes for target molecules from readily available starting materials. Rule generation from reaction databases is fully automated to insure that the system can keep abreast with the latest reaction literature and available starting materials. After these rules are used to carry out an exhaustive retrosynthetic analysis of the target molecules, special heuristics are used to mitigate a combinatorial explosion.
Proposed routes are then prioritized by a merit ranking algorithm to present to the viewer the most diverse solution profile. Users then have the option to view the details of the overall reaction tree and to scroll through the reaction details. The program runs on a server with a web-based user interface. An overview of some of the challenges, solutions, and examples that illustrate ARChem's utility will be discussed.
Hokkaido University (HU) - Seoul National University (SNU) Joint Symposium
2018 International Workshop on
New Frontiers in Convergence Science and Technology
Several approaches are proposed to solve global numerical optimization problems. Most of researchers have experimented the robustness of their algorithms by generating the result based on minimization aspect. In this paper, we focus on maximization problems by using several hybrid chemical reaction optimization algorithms including orthogonal chemical reaction optimization (OCRO), hybrid algorithm based on particle swarm and chemical reaction optimization (HP-CRO), real-coded chemical reaction optimization (RCCRO) and hybrid mutation chemical reaction optimization algorithm (MCRO), which showed success in minimization. The aim of this paper is to demonstrate that the approaches inspired by chemical reaction optimization are not only limited to minimization, but also are suitable for maximization. Moreover, experiment comparison related to other maximization algorithms is presented and discussed.
Analysis of Existing Models in Relation to the Problems of Mass Exchange betw...YogeshIJTSRD
The main recommendations of this article mainly analyzing the rate of harmful elements the period of exploitation of the automobile implements and its services to develop activity of automobile implements of the exploitation period. Shavkat Giyazov "Analysis of Existing Models in Relation to the Problems of Mass Exchange between Autotransport Complex and the Environment" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-5 | Issue-3 , April 2021, URL: https://www.ijtsrd.com/papers/ijtsrd38681.pdf Paper URL: https://www.ijtsrd.com/engineering/automotive-engineering/38681/analysis-of-existing-models-in-relation-to-the-problems-of-mass-exchange-between-autotransport-complex-and-the-environment/shavkat-giyazov
Project report: Investigating the effect of cellular objectives on genome-sca...Jarle Pahr
Report from a half-semester master-level project carried out at the department of biotechnology, Norwegian University of Science and Technology. Describes a MATLAB-based framework for comparing experimental metabolic flux data with model predictions and evaluating objective functions.
A robust, agnostic molecular biosignature based on machine learningSérgio Sacani
The search for definitive biosignatures—unambiguous markers of past or present life—is a central goal of paleobiology and astrobiology. We used pyrolysis–gas chromatogra-phy coupled to mass spectrometry to analyze chemically disparate samples, including living cells, geologically processed fossil organic material, carbon- rich meteorites, and laboratory- synthesized organic compounds and mixtures. Data from each sample were employed as training and test subsets for machine- learning methods, which resulted in a model that can identify the biogenicity of both contemporary and ancient geologically processed samples with ~90% accuracy. These machine- learning methods do not rely on precise compound identification: Rather, the relational aspects of chromatographic and mass peaks provide the needed information, which underscores this method’s utility for detecting alien biology.
PRESENTED BY: HARSHPAL SINGH WAHI, SHIKHA D. POPALI
USEFUL FOR PHARMACY STUDENTS AND ACADEMICS, INDUSTRIALS FOR MOLECULE DEVELOPMENT, MODELING, DRUG DISCOVERY, COMPUTATIONAL TOOLS, MOLECULAR DOCKING ITS TYPES, FACTORS AFFECTING, DIFFERENT STAGES, QSAR ADVANTAGES, NEED
Abstract: Using Chemical Organisation Theory [1] we present here an analysis of two classical models of artificial chemistries: a system equivalent to AlChemy [2], and the Automata Chemistry [3]. We show that Chemical Organisation Theory is able to explain why AlChemy was un- able to evolve, while the Automata Chemistry would produce a stream of novelty that would on the one side explore the space of the possible molecules (and organisations) and on the other build upon the previous findings of the system. We relate to Suzuki’s et al. [4] ten necessary conditions for the evolutions of complex forms of life, by adding an 11th one.
Analysis of Existing Models in Relation to the Problems of Mass Exchange betw...YogeshIJTSRD
The main recommendations of this article mainly analyzing the rate of harmful elements the period of exploitation of the automobile implements and its services to develop activity of automobile implements of the exploitation period. Shavkat Giyazov "Analysis of Existing Models in Relation to the Problems of Mass Exchange between Autotransport Complex and the Environment" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-5 | Issue-3 , April 2021, URL: https://www.ijtsrd.com/papers/ijtsrd38681.pdf Paper URL: https://www.ijtsrd.com/engineering/automotive-engineering/38681/analysis-of-existing-models-in-relation-to-the-problems-of-mass-exchange-between-autotransport-complex-and-the-environment/shavkat-giyazov
Project report: Investigating the effect of cellular objectives on genome-sca...Jarle Pahr
Report from a half-semester master-level project carried out at the department of biotechnology, Norwegian University of Science and Technology. Describes a MATLAB-based framework for comparing experimental metabolic flux data with model predictions and evaluating objective functions.
A robust, agnostic molecular biosignature based on machine learningSérgio Sacani
The search for definitive biosignatures—unambiguous markers of past or present life—is a central goal of paleobiology and astrobiology. We used pyrolysis–gas chromatogra-phy coupled to mass spectrometry to analyze chemically disparate samples, including living cells, geologically processed fossil organic material, carbon- rich meteorites, and laboratory- synthesized organic compounds and mixtures. Data from each sample were employed as training and test subsets for machine- learning methods, which resulted in a model that can identify the biogenicity of both contemporary and ancient geologically processed samples with ~90% accuracy. These machine- learning methods do not rely on precise compound identification: Rather, the relational aspects of chromatographic and mass peaks provide the needed information, which underscores this method’s utility for detecting alien biology.
PRESENTED BY: HARSHPAL SINGH WAHI, SHIKHA D. POPALI
USEFUL FOR PHARMACY STUDENTS AND ACADEMICS, INDUSTRIALS FOR MOLECULE DEVELOPMENT, MODELING, DRUG DISCOVERY, COMPUTATIONAL TOOLS, MOLECULAR DOCKING ITS TYPES, FACTORS AFFECTING, DIFFERENT STAGES, QSAR ADVANTAGES, NEED
Abstract: Using Chemical Organisation Theory [1] we present here an analysis of two classical models of artificial chemistries: a system equivalent to AlChemy [2], and the Automata Chemistry [3]. We show that Chemical Organisation Theory is able to explain why AlChemy was un- able to evolve, while the Automata Chemistry would produce a stream of novelty that would on the one side explore the space of the possible molecules (and organisations) and on the other build upon the previous findings of the system. We relate to Suzuki’s et al. [4] ten necessary conditions for the evolutions of complex forms of life, by adding an 11th one.
Observation of Io’s Resurfacing via Plume Deposition Using Ground-based Adapt...Sérgio Sacani
Since volcanic activity was first discovered on Io from Voyager images in 1979, changes
on Io’s surface have been monitored from both spacecraft and ground-based telescopes.
Here, we present the highest spatial resolution images of Io ever obtained from a groundbased telescope. These images, acquired by the SHARK-VIS instrument on the Large
Binocular Telescope, show evidence of a major resurfacing event on Io’s trailing hemisphere. When compared to the most recent spacecraft images, the SHARK-VIS images
show that a plume deposit from a powerful eruption at Pillan Patera has covered part
of the long-lived Pele plume deposit. Although this type of resurfacing event may be common on Io, few have been detected due to the rarity of spacecraft visits and the previously low spatial resolution available from Earth-based telescopes. The SHARK-VIS instrument ushers in a new era of high resolution imaging of Io’s surface using adaptive
optics at visible wavelengths.
This pdf is about the Schizophrenia.
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What is greenhouse gasses and how many gasses are there to affect the Earth.moosaasad1975
What are greenhouse gasses how they affect the earth and its environment what is the future of the environment and earth how the weather and the climate effects.
Comparing Evolved Extractive Text Summary Scores of Bidirectional Encoder Rep...University of Maribor
Slides from:
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Track: Artificial Intelligence
https://www.etran.rs/2024/en/home-english/
Earliest Galaxies in the JADES Origins Field: Luminosity Function and Cosmic ...Sérgio Sacani
We characterize the earliest galaxy population in the JADES Origins Field (JOF), the deepest
imaging field observed with JWST. We make use of the ancillary Hubble optical images (5 filters
spanning 0.4−0.9µm) and novel JWST images with 14 filters spanning 0.8−5µm, including 7 mediumband filters, and reaching total exposure times of up to 46 hours per filter. We combine all our data
at > 2.3µm to construct an ultradeep image, reaching as deep as ≈ 31.4 AB mag in the stack and
30.3-31.0 AB mag (5σ, r = 0.1” circular aperture) in individual filters. We measure photometric
redshifts and use robust selection criteria to identify a sample of eight galaxy candidates at redshifts
z = 11.5 − 15. These objects show compact half-light radii of R1/2 ∼ 50 − 200pc, stellar masses of
M⋆ ∼ 107−108M⊙, and star-formation rates of SFR ∼ 0.1−1 M⊙ yr−1
. Our search finds no candidates
at 15 < z < 20, placing upper limits at these redshifts. We develop a forward modeling approach to
infer the properties of the evolving luminosity function without binning in redshift or luminosity that
marginalizes over the photometric redshift uncertainty of our candidate galaxies and incorporates the
impact of non-detections. We find a z = 12 luminosity function in good agreement with prior results,
and that the luminosity function normalization and UV luminosity density decline by a factor of ∼ 2.5
from z = 12 to z = 14. We discuss the possible implications of our results in the context of theoretical
models for evolution of the dark matter halo mass function.
A brief information about the SCOP protein database used in bioinformatics.
The Structural Classification of Proteins (SCOP) database is a comprehensive and authoritative resource for the structural and evolutionary relationships of proteins. It provides a detailed and curated classification of protein structures, grouping them into families, superfamilies, and folds based on their structural and sequence similarities.
This presentation explores a brief idea about the structural and functional attributes of nucleotides, the structure and function of genetic materials along with the impact of UV rays and pH upon them.