Drug discovery analysis software tools and databases

Drug discovery applications

Drug discovery analysis software tools and databases

Most Recent Tools

Desktop app
Screening Assistant Screening Assistant

Screening Assistant

Stores and analyzes small to very large chemical libraries. Screening Assistant…

Stores and analyzes small to very large chemical libraries. Screening Assistant stores unique molecules in a MySQL database, and encapsulates several chemoinformatics methods, among which: providers…

Desktop app
CYP450model CYP450model

CYP450model

Predicts the ability of drug-like chemicals to inhibit five major drug…

Predicts the ability of drug-like chemicals to inhibit five major drug metabolizing cytochrome P450 enzyme isoforms (CYPs) (i.e. CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4). CYP450model is a unified…

Desktop app
Pybel Pybel

Pybel

Provides convenience functions and classes that make it simpler to use the Open…

Provides convenience functions and classes that make it simpler to use the Open Babel libraries from Python, especially for file input/output and for accessing the attributes of atoms and molecules.…

Desktop app
RDKit RDKit

RDKit

Provides tools for cheminformatics, computational chemistry, and predictive…

Provides tools for cheminformatics, computational chemistry, and predictive modeling. RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. RDKit provides…

Most Popular Tools

Desktop app
PiHelper PiHelper

PiHelper

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

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

Traditional Chinese… Traditional Chinese Medicine Systems Pharmacology…
Web app
POLYVIEW-MM POLYVIEW-MM

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.

Web app
AntiCP AntiCP

AntiCP

A web-based prediction server for Anticancer peptides. AntiCP would be helpful…

A web-based prediction server for Anticancer peptides. AntiCP would be helpful in: (i) predicting minimum mutations required for improving anticancer potency; (ii) virtual screening of peptides for…

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