Anand Singh Rathore

A PLM-Based Method for Predicting Protein Ion Channel Modulators for Drug Discovery and Safety Evaluation

This paper introduces IonNTXpred, a PLM-based method for predicting ion channel modulators, achieving high accuracy and supporting drug discovery and safety evaluation.

Hemolytik2: An Updated Database of Hemolytic Peptides and Proteins

Hemolytik2 is a manually curated database of hemolytic and non-hemolytic peptides with detailed annotations and structural information.

NTxPred2: A large language model for predicting neurotoxic peptides and neurotoxins

The paper develops separate models for predicting neurotoxic peptides and neurotoxins using machine learning and protein language models, achieving high AUC scores and outperforming existing methods.

Prediction of Hemolytic Peptides and their Hemolytic Concentration (HC50)

HemoPI2.0 predicts peptide hemolysis and pHC50 from sequence; a hybrid of MERCI motif scoring and ESM2-t6 reaches AUC 0.909 on held-out peptides, beating the earlier tools tested.

ToxinPred 3.0: An improved method for predicting the toxicity of peptides

This paper introduces ToxinPred 3.0, an improved method for predicting peptide toxicity using alignment-free machine/deep learning and ensemble approaches, achieving high accuracy and sensitivity.