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 …
Sequence representation approaches for sequence-based protein prediction tasks that use deep learning
Deep learning has been increasingly used in bioinformatics, especially in sequence-based
protein prediction tasks, as large amounts of biological data are available and deep learning …
protein prediction tasks, as large amounts of biological data are available and deep learning …
Onionnet: a multiple-layer intermolecular-contact-based convolutional neural network for protein–ligand binding affinity prediction
L Zheng, J Fan, Y Mu - ACS omega, 2019 - ACS Publications
Computational drug discovery provides an efficient tool for helping large-scale lead
molecule screening. One of the major tasks of lead discovery is identifying molecules with …
molecule screening. One of the major tasks of lead discovery is identifying molecules with …
Deep learning based drug screening for novel coronavirus 2019-nCov
A novel coronavirus, called 2019-nCoV, was recently found in Wuhan, Hubei Province of
China, and now is spreading across China and other parts of the world. Although there are …
China, and now is spreading across China and other parts of the world. Although there are …
A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro
The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus poses
serious threats to the global public health and leads to worldwide crisis. No effective drug or …
serious threats to the global public health and leads to worldwide crisis. No effective drug or …
An integrated deep learning and molecular dynamics simulation-based screening pipeline identifies inhibitors of a new cancer drug target TIPE2
H Zhang, J Li, KM Saravanan, H Wu, Z Wang… - Frontiers in …, 2021 - frontiersin.org
The TIPE2 (tumor necrosis factor-alpha-induced protein 8-like 2) protein is a major regulator
of cancer and inflammatory diseases. The availability of its sequence and structure, as well …
of cancer and inflammatory diseases. The availability of its sequence and structure, as well …
Deepbindgcn: Integrating molecular vector representation with graph convolutional neural networks for protein–ligand interaction prediction
The core of large-scale drug virtual screening is to select the binders accurately and
efficiently with high affinity from large libraries of small molecules in which non-binders are …
efficiently with high affinity from large libraries of small molecules in which non-binders are …
Drug design and disease diagnosis: the potential of deep learning models in biology
S Sreeraman, MP Kannan… - Current …, 2023 - ingentaconnect.com
Early prediction and detection enable reduced transmission of human diseases and provide
healthcare professionals ample time to make subsequent diagnoses and treatment …
healthcare professionals ample time to make subsequent diagnoses and treatment …
SPVec: a Word2vec-inspired feature representation method for drug-target interaction prediction
Drug discovery is an academical and commercial process of global importance. Accurate
identification of drug-target interactions (DTIs) can significantly facilitate the drug discovery …
identification of drug-target interactions (DTIs) can significantly facilitate the drug discovery …
Fusing sequence and structural knowledge by heterogeneous models to accurately and interpretively predict drug–target affinity
X Zeng, KY Zhong, B Jiang, Y Li - Molecules, 2023 - mdpi.com
Drug–target affinity (DTA) prediction is crucial for understanding molecular interactions and
aiding drug discovery and development. While various computational methods have been …
aiding drug discovery and development. While various computational methods have been …