The dynamic growth of the chemical industry has caused an increase in the number of produced, imported, and used chemicals. However, any new chemical introduced without proper control can endanger human health and the environment.

To ensure an adequate level of protection, special legal regulations have been introduced, including Regulation 1907/2006/EC, also known as REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals). Almost all chemicals are subject to REACH, excluding only specific groups such as biocidal, medicinal, and cosmetics products. REACH introduced an obligation to register substances by preparing appropriate documentation containing information on the substance, including its uses, classification, and labeling, directions for safe use, and (eco)toxicological data. The purpose of collecting this information is to enable a proper assessment of the hazards and potential risks of the substance.

Collecting data on (eco)toxicity is crucial for conducting a reliable safety assessment of a given chemical. While this can be done through laboratory tests, REACH recommends using alternative methods whenever possible. Among them, one can find computer-based methods such as read-across, grouping of substances, and the quantitative structure-activity relationships (QSAR) models. The use of these methods allows the estimation of a wide range of endpoints with significantly reduced time and costs.

We make predictions for such endpoints as:

Physico-chemical properties

7.2 Melting/freezing point OECD 102
7.3 Boiling point OECD 103
7.4 Relative density OECD 109
7.5 Vapour pressure OECD 104
7.6 Surface tension OECD 115
7.7 Water solubility OECD 105
7.8 Partition coefficient n-octanol/water OECD 107, 117, 123
7.9 Flash-point EU A.9
7.10 Flammability EU A.10, EU A.12, EU A.13
7.11 Explosive properties EU A.14
7.12 Self-ignition temperature EU A.15
7.13 Oxidising properties EU A.17
7.14 Granulometry
7.15 Stability in organic solvents and identity of relevant degradation products
7.16 Dissociation constant OECD 112
7.17 Viscosity OECD 114


8.1 Skin irritation or skin corrosion OECD 439, 430, 431, 435, EU B.40, EU B.40 bis
8.1.1 In vivo skin irritation OECD 439, 430, 431, 435
8.2 Eye irritation EU B.47, OECD 437, EU B.48, OECD 438, OECD 460, OECD 491, OECD 492
8.2.1 In vivo eye irritation OECD 405
8.3 Skin sensitisation OECD 429, 406, 442A, 442B, 442C, 442D, 442E,
8.4 Mutagenicity OECD 473
8.4.1 In vitro gene mutation study in bacteria OECD 471
8.4.2 In vitro cytogenicity study in mammalian cells or in vitro micronucleus study OECD 487
8.4.3 In vitro gene mutation study in mammalian cells OECD 490
8.5 Acute toxicity
8.5.1 By oral route OECD 420, 423, 425
8.5.2 Acute toxicity By inhalation OECD 403, 433, 436
8.5.3 Acute toxicity By dermal route OECD 402
8.6 Repeated dose toxicity
8.6.1 Short-term repeated dose toxicity study (28 days), one species, male and female, most appropriate route of administration, having regard to the likely route of human exposure. OECD 422
8.6.2 Sub-chronic toxicity study (90- day), one species, rodent, male and female, most appropriate route of administration, having regard to the likely route of human exposure.
8.7 Reproductive toxicity
8.7.1 Screening for reproductive/developmental toxicity, one species OECD 421, 422
8.7.2 Pre-natal developmental toxicity study, one species, most appropriate route of administration, having regard to the likely route of human exposure OECD 414
8.7.3 Two-generation reproductive toxicity study, one species, male and female, most appropriate route of administration, having regard to the likely route of human exposure OECD 416
8.9.1 Carcinogenicity study OECD 451, 453


9.1 Aquatic toxicity
9.1.1 Short-term toxicity testing on invertebrates (preferred species Daphnia) OECD 202
9.1.2 Growth inhibition study aquatic plants (algae preferred) OECD 201, 221
9.1.3 Short-term toxicity testing on fish: the registrant may consider long-term toxicity testing instead of short- term. OECD 203, OECD 236, OECD 210
9.1.4 Activated sludge respiration inhibition testing OECD 209
9.1.5 Long-term toxicity testing on invertebrates (preferred species Daphnia) OECD Guideline 211/ EU Method C.20
9.1.6 Long-term toxicity testing on fish Fish early-life stage (FELS) toxicity test OECD TG 210 Fish short-term toxicity test on embryo and sac-fry stages OECD 212 Fish, juvenile growth test OECD 215
9.2.1 Degradation (biotic) Ready biodegradability OECD 301 Simulation testing on ultimate degradation in surface water OECD 309 Soil simulation testing OECD 307 Sediment simulation testing OECD 308 Hydrolysis as a function of pH OECD 111
9.2.3 Identification of degradation products
9.3.1 Adsorption/desorption screening OECD 106, OECD 121
9.3.2 Bioaccumulation in aquatic species, preferably fish OECD 305
9.4 Effects on terrestrial organisms
9.4.1 Short-term toxicity to invertebrates OECD 214
9.4.2 Effects on soil micro-organisms
9.4.3 Short-term toxicity to plants
9.4.4 Long-term toxicity testing on invertebrates
9.4.6 Long-term toxicity testing on plants
9.5.1 Long-term toxicity to sediment organisms
9.6.1 Long-term or reproductive toxicity to birds


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