code for Gogleva et al manuscript

💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery

Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal reasoning, plus pathway enrichment to put results into biological context. GUI-based (minimal coding experience required).

⚗️ Tidy Chemical Data

This app enables exploration of the Drug-Target Explorer database.

Data analysis and prediction of small-molecule accumulation in Gram-negative bacteria

Mining the features that contribute to oral bioavailability in peptide middle space - sub-project from Postdoctoral position at the University of Queensland (Australia)

SynergyFinder R package development

R package for translating between drug identifiers using the Chemical Translation Service (CTS)

An R script that calculates a similarity matrix for a list of protein sequences with the aid of Bleakley-Yamanishi Normalized Smith-Waterman Similarity Score.

Using Multi-Label KNN to predict drug activity

가이드라인: 의약품 개발 시 집단 약동학 활용을 위한 가이드라인 - 식품의약품안전처 식품의약품안전평가원 의약품심사부 종양약품과 https://pipetcpt.github.io/book-poppk

Modelos utilizados en seminario de investigación y la aplicación web mlbiopredict.

Statistical analysis of the PLATCOV trial

Despliegue de aplicación web mlbiopredict. Genera predicciones de bioactividades ingresando el código SMILES de una molécula.

Mutational signature analysis for low statistics SNV data