Deepak Singla

The advantages of the Matthews correlation coefficient (MCC) over F1 score and accuracy in binary classification evaluation

Review on plant antimicrobials: a mechanistic viewpoint

In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus

DATA MINING METHODS FOR OMICS AND KNOWLEDGE OF CRUDE MEDICINAL PLANTS TOWARD BIG DATA BIOLOGY

From machine learning to deep learning: progress in machine intelligence for rational drug discovery

Pharmaceutical and medicinal significance of sulfur (SVI)-Containing motifs for drug discovery: A critical review

Inhibitors of the acetyltransferase domain of N-acetylglucosamine-1-phosphate-uridylyltransferase/glucosamine-1-phosphate-acetyltransferase (GlmU). Part 2: Optimization of physical properties leading to antibacterial aryl sulfonamides

In silico methods for design of biological therapeutics

Alkaloids: An overview of their antibacterial, antibiotic-enhancing and antivirulence activities

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Systems Pharmacology for Investigation of the Mechanisms of Action of Traditional Chinese Medicine in Drug Discovery

Artificial intelligence in drug discovery and development

Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule

Toward a Literature-Driven Definition of Big Data in Healthcare

In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

The mechanism of action of sanguinarine against methicillin-resistant Staphylococcus aureus

Precision and recall oncology: combining multiple gene mutations for improved identification of drug-sensitive tumours

Metabolomics for Investigating Physiological and Pathophysiological Processes

Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations

MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights

Designing of promiscuous inhibitors against pancreatic cancer cell lines

BIAdb: A curated database of benzylisoquinoline alkaloids

QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

Designing of peptides with desired half-life in intestine-like environment

DrugMint: a webserver for predicting and designing of drug-like molecules

Hmrbase: a database of hormones and their receptors

A web server for predicting inhibitors against bacterial target GlmU protein