Drug discovery analysis software tools and databases

Drug discovery applications

The goal of drug discovery is to identify, optimize and clinically validate those compounds that bind and modulate the function of a target protein implicated in a disease state. A drug molecule must possess certain geometry and physicochemical properties in order to have a…

Drug discovery analysis software tools and databases

Most Recent Tools

randPack
Desktop

randPack

Supports tasks of implementing and analyzing clinical trials. Various…

Supports tasks of implementing and analyzing clinical trials. Various approaches to randomization are offered. randPack is a suite of classes and functions for randomizing patients in clinical…

VacSol
Desktop

VacSol

Automates the high throughput in silico vaccine candidate prediction process…

Automates the high throughput in silico vaccine candidate prediction process for the identification of putative vaccine candidates against the proteome of bacterial pathogens. VacSol rapidly and…

Click2Drug
Data

Click2Drug

Contains a comprehensive list of computer-aided drug design (CADD) software,…

Contains a comprehensive list of computer-aided drug design (CADD) software, databases and web services. Click2Drug classifies tools according to their application field, trying to cover the whole…

SEARCHPKS
Web

SEARCHPKS

Facilitates easy identification of various polyketide synthase (PKS) domains…

Facilitates easy identification of various polyketide synthase (PKS) domains and modules from a given polypeptide sequence. SEARCHPKS is a software for detection and analysis of PKS domains in a…

Most Popular Tools

ChemDes
Web

ChemDes

An integrated web-based platform for molecular descriptor and fingerprint…

An integrated web-based platform for molecular descriptor and fingerprint computation. ChemDes provides more than 3,679 molecular descriptors that are divided into 61 logical blocks. In addition, it…

PiHelper
Desktop

PiHelper

A drug- and antibody-target information aggregator and provider service.

A drug- and antibody-target information aggregator and provider service.

TCMSP
Data
POLYVIEW-MM
Web

POLYVIEW-MM

Integrates high-quality animation of molecular motion (MM) with structural and…

Integrates high-quality animation of molecular motion (MM) with structural and functional analysis of macromolecules.

By using OMICtools you acknowledge that you have read and accepted the terms of the end user license agreement.