Research output per year
Research output per year
Personal profile
Profile
(Quantitative) Structure Activity Relationships ((Q)SARs) are the
relationships between the structural properties of chemical
substances and another property. This other property can be a
physico-chemical property or a biological activity, including the
ability to cause toxic effects. The models can reduce the
number of animal tests necessary in the assessment of chemical
substances, increase the information for a given substance
(including metabolites and degradation products), and save
companies and authorities time and money. In the EU legislation,
REACH, it is expected that (Q)SARs will be used as a direct
replacement for test data as relevant and reliable models become
increasingly available, and as experience in their use becomes more
widespread.
Our group develops, buys and validates (Q)SAR models. Our models cover many ADME and toxicity endpoints for e.g. CMR, acute toxicity, allergy, ED and metabolism CYP P450. We focus on so-called "global" models with sub-models for different chemical classes that have large chemical applicability domains. The models are applied both for single substance evaluations and for large scale screenings e.g. for The Advisory List for Selfclassification published by the Danish EPA. We advise on the use and documentation of (Q)SARs in regulatory contexts. This can e.g. be in connection with the upcoming new chemicals legislation REACH and the work in OECD to increase regulatory use and acceptance of (Q)SARs where we e.g. contribute to the development of the (Q)SAR Application Toolbox.
Our group develops, buys and validates (Q)SAR models. Our models cover many ADME and toxicity endpoints for e.g. CMR, acute toxicity, allergy, ED and metabolism CYP P450. We focus on so-called "global" models with sub-models for different chemical classes that have large chemical applicability domains. The models are applied both for single substance evaluations and for large scale screenings e.g. for The Advisory List for Selfclassification published by the Danish EPA. We advise on the use and documentation of (Q)SARs in regulatory contexts. This can e.g. be in connection with the upcoming new chemicals legislation REACH and the work in OECD to increase regulatory use and acceptance of (Q)SARs where we e.g. contribute to the development of the (Q)SAR Application Toolbox.
Other information
Language Skills:
Bulgarian
English
Russian
Danish
Bulgarian
English
Russian
Danish
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
computer science, major: mathematical logic, Department of Mathematics and Computer Science, Sofia University, Bulgaria
1989 → 1995
External positions
Project researcher, Technical University of Denmark
1 Sep 2006 → …
External consultatnt and project leader, Bourgas 'As. Zlatarov' University, Bulgaria
1 Mar 1999 → 31 Aug 2006
Research Associate, Bulgarian Academy of Sciences
1 Jan 1999 → 31 Aug 2006
IT specialist, Bulgarian Academy of Sciences
1 Dec 1994 → 31 Dec 1995
Fingerprint
Dive into the research topics where Nikolai Georgiev Nikolov is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Research output
-
Identification of substances with a carcinogenic potential in sprayformulated engine/brake cleaners, and lubricating products, available in the European Union – based on IARC, CLP, and QSAR classifications and predictions
Sørli, J. B., Frederiksen, M., Nikolov, N., Wedebye, E. B. & Hadrup, N., 2022, In: Toxicology Letters. 368, Supplement, p. S257-S258 2 p.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
-
Reproducibility Assessment and QSAR Modeling of Tox21 PPARγ Antagonist qHTS Screening Assay
Ardenkjær-Skinnerup, J., Nissen, A. C. V. E., Nikolov, N. G., Wedebye, E. B., Ravn-Haren, G., Hadrup, N. & Vogel, U., 2022, In: Toxicology Letters. 368, Supplement, p. S174-S174 1 p.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
-
How many potential vPvM/PMT substances have been registered under REACH? - vPvM/PMT-screening by using the Danish (Q)SAR database
Holmberg, R., Wedebye, E. B., Nikolov, N. G. & Tyle, H., 2021, Kgs. Lyngby: Danmarks Tekniske Universitet (DTU). 79 p.Research output: Book/Report › Report › Research
Open AccessFile972 Downloads (Pure) -
Machine learning in silico models in chemical hazard identification
Wedebye, E. B. & Nikolov, N. G., 2021, In: Toxicology Letters. 350, Supplement, p. S18-S18Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
-
Organophosphate ester flame retardants have antiandrogenic potential and affect other endocrine related endpoints in vitro and in silico
Rosenmai, A. K., Winge, S. B., Möller, M., Lundqvist, J., Wedebye, E. B., Nikolov, N. G., Lilith Johansson, H. K. & Vinggaard, A. M., 2021, In: Chemosphere. 263, 11 p., 127703.Research output: Contribution to journal › Journal article › Research › peer-review
-
LIFE CONCERT REACH: Concerting experimental data and in silico models for REACH
Wedebye, E. B. & Nikolov, N. G.
01/09/2018 → 28/02/2022
Project: Research
-
Further development of the Danish (Q)SAR Database
Wedebye, E. B. & Nikolov, N. G.
02/05/2018 → 30/11/2018
Project: Research
-
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
Wedebye, E. B. & Nikolov, N. G.
01/12/2016 → 01/02/2019
Project: Research
-
Udvikling af en iED liste - En liste over mistænkte hormonforstyrrende stoffer
Wedebye, E. B. & Nikolov, N. G.
Environmental Protection Agency
01/10/2014 → 31/12/2014
Project: Research
Activities
-
Free online Danish (Q)SAR predictions database with >600,000 substances
Eva Bay Wedebye (Invited speaker) & Nikolai Georgiev Nikolov (Other)
4 May 2018 → 6 May 2018Activity: Talks and presentations › Conference presentations
-
The effect of rational selection of training sets from an imbalanced AhR activation dataset on QSAR models accuracy and applicability domain coverage for a large set of REACH substances
Eva Bay Wedebye (Other), Nikolai Georgiev Nikolov (Other) & Kyrylo Oleksandrovych Klimenko (Guest lecturer)
11 Jun 2018 → 15 Jun 2018Activity: Talks and presentations › Conference presentations
-
A free online DTU QSAR predictor powered by Leadscope
Eva Bay Wedebye (Other) & Nikolai Georgiev Nikolov (Invited speaker)
4 May 2018 → 6 May 2018Activity: Talks and presentations › Conference presentations
-
Workshop on QSAR and the Danish QSAR Database
Eva Bay Wedebye (Guest lecturer) & Nikolai Georgiev Nikolov (Guest lecturer)
31 Oct 2018Activity: Talks and presentations › Talks and presentations in private or public companies and organisations
-
Advisory self-classifications for 54,135 substances based on (Q)SAR predictions from the Danish (Q)SAR database, VEGA QSAR and the OECD QSAR Toolbox
Eva Bay Wedebye (Guest lecturer) & Nikolai Georgiev Nikolov (Other)
11 Jun 2018 → 15 Jun 2018Activity: Talks and presentations › Conference presentations
Prizes
-
Danish 3R-Center 3R-prize 2016
Wedebye, Eva Bay (Recipient) & Nikolov, Nikolai Georgiev (Recipient), 15 Sep 2016
Prize: Prizes, scholarships, distinctions