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Scientific Software Services :: Chemistry :: Chemical Databases :: Human/Animal Developmental Toxicity Database

Human/Animal Developmental Toxicity Database #10

Human/Animal Developmental Toxicity Database

The Human/Animal Developmental Toxicity Database consists of the chemical structures and associated chemical/physical properties of 157 organic compounds (pharmaceutical, agrochemical, industrial) listed in Jelovsek et. al. (Obstetrics & Gynecology 74:624-636; 1989).
Conformational analysis and full energy minimization were utilized to obtain low energy 3-D structures.
The chemical and physical properties calculated by Molecular Modeling Pro represent steric, solubility/transport, and electronic characteristics:

molecular weight

molecular volume

density

total surface area

logP

hydrophilic-lipophilic balance

solubility parameter (segmented by dispersion, polarity and hydrogen bonding)

hydrogen bond donating/accepting capabilities

dipole moment

molar refractivity

water solubility

hydrophilic surface area

polar surface area

Each data base entry lists the name, CAS registry number, and observed overall developmental toxicity (positive, negative, equivocal, unknown) within humans and the individual animal species of hamster, mouse, rabbit, and rat.
The Human/Animal Developmental Toxicity Database can be a useful reference source for toxicology professionals, as well as a tool in the investigation of the requirements for organic compounds to exhibit developmental toxicity.

Features:

Miscellaneous pharmaceuticals, agrochemicals, and industrial compounds

Developmental toxicity observed within the human, hamster, mouse, rabbit, rat

Geometry optimized 3-D chemical structures in Molfile and SD file format
Chemical and physical properties calculated by Molecular Modeling Pro
Data base can be used for QSAR studies using Molecular Modeling Pro
Substructure or similarity searches can be performed with Molecular Modeling Pro
Data can be edited and/or updated as appropriate

File Formats Provided:

CSV for Molecular Modeling Pro
SDF for ChemOffice Ultra
MDB for MS Access

Human/Animal Developmental Toxicity Database - Packages & Pricing

Human/Animal Developmental Toxicity DB, Single User

$ 499.00

Details

Price: $499.00 (€ 449.10)

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