AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity.

ABSTRACT:

Motivation

Identification of new molecules promising for treatment of HIV-infection and HIV-associated disorders remains an important task in order to provide safer and more effective therapies. Utilization of prior knowledge by application of computer-aided drug discovery approaches reduces time and financial expenses and increases the chances of positive results in anti-HIV R&D. To provide the scientific community with a tool that allows estimating of potential agents for treatment of HIV-infection and its comorbidities, we have created a freely-available web-resource for prediction of relevant biological activities based on the structural formulae of drug-like molecules.

Results

Over 50 000 experimental records for anti-retroviral agents from ChEMBL database were extracte

SUBMITTER: Stolbov L 

PROVIDER: S-EPMC7523681 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature