Artificial intelligence, big data and machine learning approaches in precision medicine & drug discovery
A Nayarisseri, R Khandelwal, P Tanwar… - Current drug …, 2021 - ingentaconnect.com
Artificial Intelligence revolutionizes the drug development process that can quickly identify
potential biologically active compounds from millions of candidate within a short period. The …
potential biologically active compounds from millions of candidate within a short period. The …
Topological polar surface area: a useful descriptor in 2D-QSAR
S Prasanna, RJ Doerksen - Current medicinal chemistry, 2009 - ingentaconnect.com
Topological polar surface area (TPSA), which makes use of functional group contributions
based on a large database of structures, is a convenient measure of the polar surface area …
based on a large database of structures, is a convenient measure of the polar surface area …
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations
There has been a recent surge of interest in using machine learning across chemical space
in order to predict properties of molecules or design molecules and materials with the …
in order to predict properties of molecules or design molecules and materials with the …
Protein functional annotation of simultaneously improved stability, accuracy and false discovery rate achieved by a sequence-based deep learning
J Hong, Y Luo, Y Zhang, J Ying, W Xue… - Briefings in …, 2020 - academic.oup.com
Functional annotation of protein sequence with high accuracy has become one of the most
important issues in modern biomedical studies, and computational approaches of …
important issues in modern biomedical studies, and computational approaches of …
Update of TTD: therapeutic target database
Increasing numbers of proteins, nucleic acids and other molecular entities have been
explored as therapeutic targets, hundreds of which are targets of approved and clinical trial …
explored as therapeutic targets, hundreds of which are targets of approved and clinical trial …
In silico approaches and tools for the prediction of drug metabolism and fate: A review
The fate of administered drugs is largely influenced by their metabolism. For example,
endogenous enzyme–catalyzed conversion of drugs may result in therapeutic inactivation or …
endogenous enzyme–catalyzed conversion of drugs may result in therapeutic inactivation or …
Computer aided drug design for multi-target drug design: SAR/QSAR, molecular docking and pharmacophore methods
A Abdolmaleki, JB Ghasemi, F Ghasemi - Current drug targets, 2017 - ingentaconnect.com
Multi-target drugs against particular multiple targets get better protection, resistance profiles
and curative influence by cooperative rules of a key beneficial target with resistance …
and curative influence by cooperative rules of a key beneficial target with resistance …
Nature is the best source of anti-inflammatory drugs: Indexing natural products for their anti-inflammatory bioactivity
M Aswad, M Rayan, S Abu-Lafi, M Falah, J Raiyn… - Inflammation …, 2018 - Springer
Objectives The aim was to index natural products for less expensive preventive or curative
anti-inflammatory therapeutic drugs. Materials A set of 441 anti-inflammatory drugs …
anti-inflammatory therapeutic drugs. Materials A set of 441 anti-inflammatory drugs …
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system
CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …
number of available drugs, and a subpar satisfaction level among patients and caregiver …
Computer-aided drug discovery and development
S Zhang - Drug design and discovery: methods and protocols, 2011 - Springer
Computer-aided approaches have been widely used in pharmaceutical research to improve
the efficiency of the drug discovery and development pipeline. To identify and design small …
the efficiency of the drug discovery and development pipeline. To identify and design small …