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ICM Chemist specifications


Unique identifier OMICS_04976
Name ICM Chemist
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS
License Commercial
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline ICM-Browser Team

Additional information

A pro version is available at: http://www.molsoft.com/icm-chemist-pro.html

ICM Chemist citations


4 Nitro styrylquinoline is an antimalarial inhibiting multiple stages of Plasmodium falciparum asexual life cycle

PMCID: 5350499
PMID: 28285258
DOI: 10.1016/j.ijpddr.2017.02.002

[…] To select unique chemotypes we divided 50,000 BioCore (BioDesign) compounds (www.asinex.com) into clusters, using the cheminformatics software package Molsoft ICM Chemist Pro (www.molsoft.com/icm_pro.html) and JKlustor (ChemAxon). This analysis identified 2115 clusters. A central compound from each cluster was selected for purchase as this allowed us to max […]


Prioritization of anti malarial hits from nature: chemo informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti malarial drugs

Malar J
PMCID: 4731946
PMID: 26823078
DOI: 10.1186/s12936-016-1087-y
call_split See protocol

[…] package [] was employed to calculate structure-related 2D molecular descriptors. Other physicochemical properties (e.g., ligand efficiency (LE), number chemical functional groups) were computed with ICM Chemist Pro (v3.7) from Molsoft Inc. and DataWarrior [] running on a Linux platform on a Dell Vostro 2520 computer. Boxplots of the molecular descriptors and physicochemical properties were plotte […]


Inside the Mind of a Medicinal Chemist: The Role of Human Bias in Compound Prioritization during Drug Discovery

PLoS One
PMCID: 3504051
PMID: 23185259
DOI: 10.1371/journal.pone.0048476

[…] n they viewed the same compound on separate occasions.The molecule batches were created in the order BiaCore and NMR profiling proceeded and imported into ICM sessions (internally modified version of ICM Chemist from MolSoft ). ICM offered a chemically aware spreadsheet that could be toggled into an interactive structure grid where cells could be selected and table position navigated with keyboard […]


The EYA Tyrosine Phosphatase Activity Is Pro Angiogenic and Is Inhibited by Benzbromarone

PLoS One
PMCID: 3335822
PMID: 22545090
DOI: 10.1371/journal.pone.0034806

[…] Compound 1 was docked into the active site of EYA3(ED) using ICM Chemist Pro (Molsoft L.L.C.) with flexible ligand and rigid target. The formal charge on the Mg ion was set to +0.66. Once the ligand was docked into the active site the side-chains lining the bin […]

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