Habib, P. | bioRxiv Science

bioRxiv2020

Pathdict: Machine learning software predict Drug-Pathway interaction in human Based on drug simplified molecular-input line-entry system (SMILES)

Predicting the target of unknown or/and drugs under investigation from data of already identified drugs is very important not only for the understanding of various drug and molecular interaction processes but also for the development of novel drugs. Here we introduce TarDict, a RandomForestClassifier based-software predict the target pathway or protein based on SMILES of chemical. TarDict receives SMILES and returns a list of the possible similar drug, then export list to the user the target that drug contribute in. Training data set of 20442 entry and testing reveal %95 accuracy.

bioinformatics↗

bioRxiv2019

SNPector: SNP inspecting tool to detect disease existence and drug response in direct naked sequencing depends on mutation index

Due to the ability to diagnose diseases early and evaluate the effectiveness of medicinal drugs, single nucleotide polymorphism (SNP) identification receives significant interest. Detection and diagnosis of genetic variation through skill-less computational tools would help researchers reducing the severity of such health complications and improving the well-tailored therapies using discovered and previously known information. We introduce SNPector, which is a standalone SNP inspection software could be used to diagnose gene pathogenicity and drug reaction in naked genomic sequences. It identifies and extracts gene-related SNPs, and reports their genomic position, associated phenotype disorder, associated diseases, linkage disequilibrium, in addition to various drug reaction information. SNPector detects and verifies the existence of an SNP in a given DNA sequence based on different clinically relevant SNP databases such as NCBI Clinvar database, Awesome database, and PharmGKB and generates highly informative visualizations of the recovered information.

bioinformatics↗