Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
Blockchain and artificial intelligence technology in e-Health
P Tagde, S Tagde, T Bhattacharya, P Tagde… - … Science and Pollution …, 2021 - Springer
Blockchain and artificial intelligence technologies are novel innovations in healthcare
sector. Data on healthcare indices are collected from data published on Web of Sciences …
sector. Data on healthcare indices are collected from data published on Web of Sciences …
Advances in de novo drug design: from conventional to machine learning methods
De novo drug design is a computational approach that generates novel molecular structures
from atomic building blocks with no a priori relationships. Conventional methods include …
from atomic building blocks with no a priori relationships. Conventional methods include …
Generative models for de novo drug design
Artificial intelligence (AI) is booming. Among various AI approaches, generative models
have received much attention in recent years. Inspired by these successes, researchers are …
have received much attention in recent years. Inspired by these successes, researchers are …
Deep learning approaches for de novo drug design: An overview
De novo drug design is the process of generating novel lead compounds with desirable
pharmacological and physiochemical properties. The application of deep learning (DL) in de …
pharmacological and physiochemical properties. The application of deep learning (DL) in de …
Application advances of deep learning methods for de novo drug design and molecular dynamics simulation
De novo drug design is a stationary way to build novel ligands in the confined pocket of
receptor by assembling the atoms or fragments, while molecular dynamics (MD) simulation …
receptor by assembling the atoms or fragments, while molecular dynamics (MD) simulation …
Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2 via molecular docking, and approach with molecular dynamics, RMSD, RMSF, H …
AM da Fonseca, BJ Caluaco, JMC Madureira… - Molecular …, 2024 - Springer
Abstract Severe Acute Respiratory Syndrome caused by a coronavirus is a recent viral
infection. There is no scientific evidence or clinical trials to indicate that possible therapies …
infection. There is no scientific evidence or clinical trials to indicate that possible therapies …
Machine learning in drug design: Use of artificial intelligence to explore the chemical structure–biological activity relationship
The paper presents a comprehensive overview of the use of artificial intelligence (AI)
systems in drug design. Neural networks, which are one of the systems employed in AI, are …
systems in drug design. Neural networks, which are one of the systems employed in AI, are …
Relation: A deep generative model for structure-based de novo drug design
Deep learning (DL)-based de novo molecular design has recently gained considerable
traction. Many DL-based generative models have been successfully developed to design …
traction. Many DL-based generative models have been successfully developed to design …
[HTML][HTML] A comprehensive review of artificial intelligence and network based approaches to drug repurposing in Covid-19
Conventional drug discovery and development is tedious and time-taking process; because
of which it has failed to keep the required pace to mitigate threats and cater demands of viral …
of which it has failed to keep the required pace to mitigate threats and cater demands of viral …