• IT & software services
• Risk assessment (environmental)
• Risk assessment (human)
• Training

One of the main activities for the company is developing new QSAR software. Presently Molcode computational QSAR models and computational chemistry platforms are used in various industrial projects with great success.

Molcode is the number one company on holding the EC JRC approved predictive QSAR model reports. This makes us the biggest validated computational data holder of physico-chemical, toxicological, biological and environmental properties/endpoints for chemical substances.

We believe that Molcode can meet the your needs, because endpoints obtained with our many approved QSAR models always meet all the requirements set out by ECHA and OECD. QSAR, if available, is strongly recommended by ECHA, since testing with vertebrate animals should be considered as a last resort (Guidance on Pre-registration and Data Sharing). Molcodes QSAR model reports are validated by EC JRC (Joint Research Commission) and are the outcome of decades of scientific research and development by our scientists.

IT & software services

One of the main activities for the company is developing new QSAR software. All Molcode developed QSAR models meet the conditions set out in the REACH Regulation Annex XI, Section 1.3. Molcode‘s property or activity predictions for the chemicals are based on QSAR Model Reporting Format (QMRF). Molcode QMRF reports are all submitted to and validated by the EC JRC (European Commission Joint Research Group) and are published in QSAR Model Reporting Format Inventory data base. All the predictions are documented in OECD QSAR Prediction Reporting Format (QPRF) and respective reports are ready for dossier submission to IUCLID5.

Risk assessment (environmental)

Partial list of Molcode’s QSAR models for REACH endpoints (ecotox)

Annex VII

• OECD202 / Acute toxicity for Daphnia Magna (96h)
• OECD201 / Growth Inhibition study on algae
• OECD301 / Persistence: Biotic degradation in air
• OECD308 / Persistence: Biotic degradation in sediment
• OECD307 / Persistence: Biotic degradation in soil
• OECD309 / Persistence: Biotic degradation in water

Annex VIII

OECD209 / Toxicity to Activated Sludge

OECD203 / Acute Toxicity to Rainbow Trout

Risk assessment (human)

Partial list of Molcode’s QSAR models for REACH endpoints (toxicology)

Annex VII

• OECD 423/ Acute Oral Toxicity - Acute toxic Class Method /- in vitro (cytotoxicity)
• OECD 429 / Skin Sensitisation

Annex VIII

• OECD (421) 422 / 28 day repeated dose toxicity study with reproduction / Developmental toxicity screen
• OECD 473 / Mutagenicity - In vitro study in Mammalian Cells

Annex X

OECD 451 / Carcinogenicity (mouse)

OECD 452 / Rat Chronic Toxicity LOAEL

Training

Further information about QSAR and how to report it in IUCLID 5 can be found in following documents:

• Guidance on Information Requirements and Chemical Safety Assessment in Chapter R6: QSARS and grouping of chemicals;
• Practical Guide 5: How to report QSARs;
• Practical Guide 10: How to avoid unnecessary testing on animals.