Advances in Protein-Ligand Binding Affinity Prediction via Deep Learning: A Comprehensive Study of Datasets, Data Preprocessing Techniques, and Model …
GA Abdelkader, JD Kim - Current drug targets, 2024 - benthamdirect.com
Background Drug discovery is a complex and expensive procedure involving several timely
and costly phases through which new potential pharmaceutical compounds must pass to get …
and costly phases through which new potential pharmaceutical compounds must pass to get …
DrugRepoBank: A comprehensive database and discovery platform for accelerating drug repositioning
In recent years, drug repositioning has emerged as a promising alternative to the time-
consuming, expensive and risky process of developing new drugs for diseases. However …
consuming, expensive and risky process of developing new drugs for diseases. However …
Neuromorphic computing for modeling neurological and psychiatric disorders: implications for drug development
The emergence of neuromorphic computing, inspired by the structure and function of the
human brain, presents a transformative framework for modelling neurological disorders in …
human brain, presents a transformative framework for modelling neurological disorders in …
CapsEnhancer: an effective computational framework for identifying enhancers based on chaos game representation and capsule network
Enhancers are a class of noncoding DNA, serving as crucial regulatory elements in
governing gene expression by binding to transcription factors. The identification of …
governing gene expression by binding to transcription factors. The identification of …
[HTML][HTML] An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language …
Identification of interactions between chemical compounds and proteins is crucial for various
applications, including drug discovery, target identification, network pharmacology, and …
applications, including drug discovery, target identification, network pharmacology, and …
[HTML][HTML] NFSA-DTI: A Novel Drug–Target Interaction Prediction Model Using Neural Fingerprint and Self-Attention Mechanism
F Liu, H Xu, P Cui, S Li, H Wang, Z Wu - International Journal of …, 2024 - mdpi.com
Existing deep learning methods have shown outstanding performance in predicting drug–
target interactions. However, they still have limitations:(1) the over-reliance on locally …
target interactions. However, they still have limitations:(1) the over-reliance on locally …
DeepDrugmiR: a two-stage deep learning method for inferring small molecules' regulatory effects on microRNA expression
MicroRNAs (miRNAs), vital regulators of gene expression and human health, are intimately
associated with diseases upon dysregulation. Small molecules have emerged as promising …
associated with diseases upon dysregulation. Small molecules have emerged as promising …
Drug-Protein Interactions Prediction Models Using Feature Selection and Classification Techniques
T Idhaya, A Suruliandi, SP Raja - Current Drug Metabolism, 2023 - ingentaconnect.com
Background: Drug-Protein Interaction (DPI) identification is crucial in drug discovery. The
high dimensionality of drug and protein features poses challenges for accurate interaction …
high dimensionality of drug and protein features poses challenges for accurate interaction …
Drug-Target-Interaction Prediction with Contrastive and Siamese Transformers
D Ikechukwu, A Kumar - bioRxiv, 2023 - biorxiv.org
As machine learning (ML) becomes increasingly integrated into the drug development
process, accurately predicting Drug-Target Interactions (DTI) becomes a necessity for …
process, accurately predicting Drug-Target Interactions (DTI) becomes a necessity for …
Transformer models for protein-guided drug compound generation: A comparison of amino acid sequences, pre-trained protein embeddings, SMILES, and SELFIES
D Fossl - 2024 - unbc.arcabc.ca
Drug discovery is a time-consuming and costly process that notoriously suffers from low
success rates. Increased availability of chemically relevant data and advances in machine …
success rates. Increased availability of chemically relevant data and advances in machine …