DeepAI
Log In Sign Up

Chemistry42: An AI-based platform for de novo molecular design

01/22/2021
by   Yan A. Ivanenkov, et al.
0

Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods. Chemistry42 is unique in its ability to generate novel molecular structures with predefined properties validated through in vitro and in vivo studies. Chemistry42 is a core component of Insilico Medicine Pharma.ai drug discovery suite that also includes target discovery and multi-omics data analysis (PandaOmics) and clinical trial outcomes predictions (InClinico).

READ FULL TEXT

page 1

page 2

page 3

page 4

06/09/2021

Artificial Intelligence in Drug Discovery: Applications and Techniques

Artificial intelligence (AI) has been transforming the practice of drug ...
02/10/2021

Artificial Intelligence based Autonomous Molecular Design for Medical Therapeutic: A Perspective

Domain-aware machine learning (ML) models have been increasingly adopted...
10/10/2021

An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design

As a promising tool to navigate in the vast chemical space, artificial i...
09/26/2022

Taking a Respite from Representation Learning for Molecular Property Prediction

Artificial intelligence (AI) has been widely applied in drug discovery w...
10/03/2009

Pre-processing in AI based Prediction of QSARs

Machine learning, data mining and artificial intelligence (AI) based met...
11/13/2017

COMBINE: a novel drug discovery platform designed to capture insight and experience of users

The insight and experience gained by a researcher are often lost because...
07/11/2014

SketchBio: A Scientist's 3D Interface for Molecular Modeling and Animation

Background: Because of the difficulties involved in learning and using 3...