Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
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 …

Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction

Y Myung, AGC de Sá, DB Ascher - Nucleic acids research, 2024 - academic.oup.com
Evaluating pharmacokinetic properties of small molecules is considered a key feature in
most drug development and high-throughput screening processes. Generally …

Machine learning for synergistic network pharmacology: a comprehensive overview

F Noor, M Asif, UA Ashfaq, M Qasim… - Briefings in …, 2023 - academic.oup.com
Network pharmacology is an emerging area of systematic drug research that attempts to
understand drug actions and interactions with multiple targets. Network pharmacology has …

[HTML][HTML] Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

MT ul Qamar, SM Alqahtani, MA Alamri… - Journal of pharmaceutical …, 2020 - Elsevier
The recent pandemic of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has
raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CL pro) …

Concepts of artificial intelligence for computer-assisted drug discovery

X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

Machine learning toxicity prediction: latest advances by toxicity end point

CN Cavasotto, V Scardino - ACS omega, 2022 - ACS Publications
Machine learning (ML) models to predict the toxicity of small molecules have garnered great
attention and have become widely used in recent years. Computational toxicity prediction is …

The neuroactive potential of the human gut microbiota in quality of life and depression

M Valles-Colomer, G Falony, Y Darzi… - Nature …, 2019 - nature.com
The relationship between gut microbial metabolism and mental health is one of the most
intriguing and controversial topics in microbiome research. Bidirectional microbiota–gut …

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

H Yang, C Lou, L Sun, J Li, Y Cai, Z Wang, W Li… - …, 2019 - academic.oup.com
Abstract Summary admetSAR was developed as a comprehensive source and free tool for
the prediction of chemical ADMET properties. Since its first release in 2012 containing 27 …

Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions

S Vatansever, A Schlessinger, D Wacker… - Medicinal research …, 2021 - Wiley Online Library
Neurological disorders significantly outnumber diseases in other therapeutic areas.
However, develo** drugs for central nervous system (CNS) disorders remains the most …